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Expression was in fusion with the periplasmic maltose-binding protein to levels of 10±20 nmol of receptor per L of culture, as detected with the speci®c antagonist ligand [3H]ZM241385..

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Puri®cation and characterization of the human adenosine A2a

H Markus Weiû and Reinhard Grisshammer*

MRC Laboratory of Molecular Biology, Hills Road, Cambridge, UK

The adenosine A2a receptor belongs to the seven

trans-membrane helix G-protein-coupled receptor family, is

abundant in striatum, vasculature and platelets and is

involved in several physiological processes such as blood

pressure regulation and protection of cells during anoxia

For structural and biophysical studies we have expressed

the human adenosine A2areceptor (hA2aR) at high levels

inserted into the Escherichia coli inner membrane, and

established a puri®cation scheme Expression was in fusion

with the periplasmic maltose-binding protein to levels of

10±20 nmol of receptor per L of culture, as detected with

the speci®c antagonist ligand [3H]ZM241385 As the

re-ceptor C-terminus was proteolyzed upon solubilization, a

protease-resistant but still functional receptor was created

by truncation to Ala316 Addition of the sterol, cholesteryl

hemisuccinate, allowed a stable preparation of functional

hA2aR solubilized in dodecylmaltoside to be obtained, and, increased the stability of the receptor solubilized in other alkylmaltosides Puri®cation to homogeneity was achieved in three steps, including ligand anity chroma-tography based on the antagonist xanthine amine con-gener The puri®ed hA2aR fusion protein bound [3H]ZM241385 with a Kdof 0.19 nMand an average Bmax

of 13.7 nmolámg)1 that suggests 100% functionality Agonist anities for the puri®ed solubilized receptor were higher than those for the membrane-bound form Sucient pure, functional hA2aR can now be prepared regularly for structural studies

Keywords: adenosine A2a receptor; [3H]ZM241385; G-protein-coupled receptor; maltose-binding protein fusion; functional solubilization

Adenosine is a paracrine modulator of cell function that is

important for local regulatory processes in virtually all

mammalian organs Adenosine is involved in protection of

cells during anoxia and is an ubiquitous neuromodulator in

the central nervous system [1±4] So far, four human

adenosine receptors have been identi®ed (A1, A2a, A2b, and

A3) belonging to the family of G-protein-coupled receptors

(GPCRs) Like many other GPCRs, adenosine receptors

are potential drug targets Drugs acting on the human

adenosine A2a receptor (hA2aR) are expected to have a

therapeutic potential in CNS disorders, in¯ammation or

stroke [5] Mice lacking the adenosine A2a receptor show

increased aggression, hypoalgesia, faster platelet

aggrega-tion, high blood pressure and reduced exploratory activity

indicating involvement of the receptor in a variety of

physiological functions [6] Direct structure determination

of hA2aR by X-ray or electron crystallography, or

infor-mation on the bound ligand conforinfor-mation obtained by NMR spectroscopy, would assist in the design of subtype speci®c compounds and improve the understanding of GPCR function

GPCRs constitute a large protein family, but from the thousands of members, only rhodopsin has been puri®ed in large quantities from natural tissue Functional heterolo-gous expression and puri®cation of large quantities of GPCRs has proved to be very dif®cult [7±10] Crystalliza-tion, NMR spectroscopy, and other work that depends on milligram quantities of puri®ed protein, are therefore hindered Structure determination of GPCRs is successful when suf®cient pure protein is available, as shown for rhodopsin [11±13] Hence, functional over-expression and stable puri®cation are the keys to more rapid progress in understanding GPCR structure and function

No well documented puri®cation of functional adenosine

A2areceptor and characterization of the puri®ed protein has yet been reported The A2areceptor has been heterologously expressed but puri®ed only in small amounts for antibody production [14] The puri®cation of microgram quantities of adenosine A1 receptor from different tissues has been reported previously based on ef®cient ligand af®nity chro-matography using the antagonist xanthine amine congener (XAC) [15±17], but this procedure has never been used for the adenosine A2areceptor

We report here the expression of the hA2aR fused at its N-terminus with the maltose-binding protein (MBP) and its puri®cation in milligram quantities The receptor is fully functional according to ligand binding analysis This is the

®rst puri®cation of an adenosine receptor in a functional form and in suf®cient quantity for structural and biophysical work

Correspondence to H M Weiû, Aesku.lab Diagnostika, Mikroforum

Ring 2, 55234 Wendelsheim, Germany Fax: + 49 6734 9627 27,

Tel.: + 49 6734 9627 11, E-mail: weiss@aeskulab.de

Abbreviations: CHS, cholesteryl hemisuccinate; DDM, n-dodecyl-b- D

-maltoside; DeM, n-decyl-b- D -maltoside; GPCR, G-protein-coupled

receptor; hA2aR, human adenosine A 2a receptor; IMAC, immobilized

metal anity chromatography; IPTG, isopropyl thio-b- D -galactoside;

MBP, maltose-binding protein; NECA,

5¢-N-ethylcarboxamidoade-nosine; R-PIA, R(±)N 6 -(2-phenylisopropyl)-adenosine; UM,

n-undecyl-b- D -maltoside; XAC, xanthine amine congener.

*Present address: Laboratory of Molecular Biology, NIDDK, NIH,

Building 50/4503, 50 South Drive, Bethesda, MD 20892-8030, USA.

(Received 6 August 2001, accepted 22 October 2001)

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M A T E R I A L S A N D M E T H O D S

Materials

[3H]ZM241385 (629 GBqámmol)1) and ZM241385 were

obtained from Tocris (Bristol, UK) Theophylline, XAC,

R(±)N6-(2-phenylisopropyl)-adenosine (R-PIA), and

5¢-N-ethylcarboxamidoadenosine (NECA) were purchased from

Sigma RBI Chelating Sepharose, HiTrap Q Sepharose,

PD10 and NICK spin columns were from Amersham

Pharmacia (Uppsala, Sweden), Ni-nitrilotriacetic acid

aga-rose was from Qiagen (Hilden, Germany) and Af®-Gel 10

gel was from Bio-Rad (Hercules, CA, USA) Adenosine

deaminase was purchased from Boehringer (Mannheim,

Germany) Cholesteryl hemisuccinate (CHS) was from

Sigma, n-dodecyl-b-D-maltoside (DDM) was from

Ana-trace (Maume, OH, USA) and n-undecyl-b-D-maltoside

(UM) and n-decyl-b-D-maltoside (DeM) were from

Calbio-chem (Nottingham, UK) The cDNA coding for hA2aR

[18] was generously provided by J Coote (GlaxoWellcome,

Stevenage, UK)

Expression of hA2aR fusion proteins

Escherichia coli strain DH5a (Gibco BRL) [19] was used as

the host for recombinant plasmids Cells were grown in

2 ´ TY medium [19] containing ampicillin (100 lgámL)1)

and glucose (0.2%, w/v) The cDNA coding for the hA2aR

[18] was modi®ed by standard cloning techniques and PCR

as follows The start codon was replaced by a BamHI

restriction enzyme site, encoding the amino-acid residues

Gly-Ser, in-frame with the codon for Pro2 of the receptor

cDNA The codon for the last used amino acid of the

receptor (Ser412 in case of the full-length receptor and

Ala316 for the truncated receptor) was followed by the

nucleotide sequence GCGGCCGCA that contains a NotI

restriction site and encodes three Ala residues in the ®nal

construct The regions coding for the C-terminal tags

(Fig 1) and two stop codons were ¯anked by NotI and

HindIII restriction sites at the 5¢ and 3¢ ends, respectively

Cassettes were cloned into a pBluescript KS vector

(Stratagene) and were con®rmed by DNA sequencing

For obtaining the ®nal expression vector, the cassettes were

cloned as BamHI/HindIII fragments into the E coli

expression vector pRG/III-hs-MBP [20] This vector

con-tains the coding region for MBP including the N-terminal

signal sequence; Thr366 is followed by a BamHI site used

for introduction of the receptor cassette

For expression, cells with the respective expression vector

were grown at 37 °C in 2-L ¯asks containing 500 mL

of 2 ´ TY medium supplemented with ampicillin

(100 lgámL)1), glucose (0.2%, w/v) and theophylline

(100 lM) At a D600  0.7, isopropyl thio-b-D-galactoside

(IPTG) was added to a ®nal concentration of 0.3 mMand the

temperature was reduced to 22 °C Cells were harvested 22±

28 h later, frozen in liquid nitrogen, and stored at )70 °C

Synthesis of XAC-agarose gel

The ligand af®nity gel was prepared based on the method

described by Nakata [15] XAC was dissolved in

dimethyl-sulfoxide at a concentration of 0.5 mgámL)1 Af®-Gel 10

resin was washed extensively with ice-cold isopropanol and

then brie¯y with dimethylsulfoxide before adding it to the XAC solution (12 mL XAC in dimethylsulfoxide for 1 mL

of packed gel) The suspension was slowly stirred overnight

at room temperature The amount of covalently bound XAC was estimated to be about 14 lmol per mL of gel by monitoring the absorbance at 310 nm in 10 mMHCl of the XAC solution before and after incubation with the gel This

is about eight times more ligand per volume of gel than reported by Nakata [15] The gel was washed with dimethylsulfoxide and then extensively with buffer (50 mM Tris/HCl, pH 7.4), before ®nally being washed and stored in 20% ethanol

Membrane preparation and solubilization from membranes

All work was carried out at 0±4 °C E coli cells were thawed and resuspended in lysis buffer (20 mM Hepes/KOH,

pH 7.4, 100 mM NaCl, 5 mM MgCl2, 1 mM phenyl-methanesulfonyl ¯uoride, 0.5 lgámL)1 leupeptin, 0.7 lgámL)1pepstatin, 20 lgámL)1DNaseI) using 2±3 mL

of buffer per gram of cells The suspension was twice passed through a French press Membranes were pelleted by centrifugation at 100 000 g for 1 h, suspended in buffer (50 mM Hepes/KOH, pH 7.4, 100 mM NaCl, 30% glycerol, 1 mM phenylmethanesulfonyl ¯uoride, 0.5 lgámL)1leupeptin, 0.7 lgámL)1pepstatin), snap-frozen in aliquots and stored at )70 °C

Solubilization of the hA2aR from membranes was carried out at a protein concentration of about 6 mgámL)1

in membrane solubilization buffer (50 mM Hepes/KOH,

pH 7.4, 200 mMNaCl, 30% glycerol, 40 lMtheophylline,

1 mM phenylmethanesulfonyl ¯uoride, 0.5 lgámL)1 leu-peptin, 0.7 lgámL)1 pepstatin and 1% of the respective detergent (DDM, UM or DeM) with or without 0.2%

Fig 1 hA2aR-fusion proteins used in this study (A) Schematic repre-sentation of hA2aR fusion proteins The boxes shown are not drawn to scale The names used in the text are given on the right MBP, mature

E coli maltose-binding protein (Lys1 to Thr366) followed by glycine and serine encoded by a BamHI restriction site; hA2aR, human adenosine A 2a receptor (Pro2 to Ser412); hA2aRTr316, C-terminally truncated human adenosine A 2a receptor (Pro2 to Ala316); TrxA,

E coli thioredoxin (Ser2 to Ala109); H10, 10 histidine residues; H10F,

10 histidine residues followed by the Flag-peptide (B) C-terminal tags Amino-acid residues are given in the one-letter code The sequence AAA is encoded by a NotI restriction site, the sequence GT is encoded

by a KpnI site, the sequence EF is encoded by a EcoRI site, the sequence DYKDDDDK corresponds to the Flag peptide.

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CHS After incubation with slow rotation for 1 h at 4 °C,

samples were centrifuged for 45 min at 125 000 g The

supernatant was saved as the solubilized fraction Aliquots

were used for ligand binding assays

Receptor solubilization from intact cells and puri®cation

All work was performed at 0±4 °C One-hundred grams of

E coli cells expressing M-A2aTr316-H10 (from 9 L of

culture) were thawed and resuspended, using a Kenwood

BL350 blender, in 175 mL of buffer (100 mMHepes/KOH,

pH 7.4, 60% glycerol) supplemented with 700 lL leupeptin

(stock solution 0.25 mgámL)1), 700 lL pepstatin

(0.35 mgámL)1), 700 lL phenylmethanesulfonyl ¯uoride

(500 mM), 14 mL NaCl (5M), 200 lL DNaseI

(10 mgámL)1), 700 lL theophylline (25 mM) and 1.75 mL

MgCl2(1M) Water was added afterwards to give a ®nal

volume of 315 mL Then 35 mL of detergent stock solution

(10% DDM, 2% CHS) were added with stirring The

suspension was sonicated with stirring on ice, using a

sonicator ultrasonic processor XL (Misonix, Farmingdale,

NY, USA), level 5, pulsing 1 s on/1 s off, with 12 s pulsing on

per gram of cells Then the suspension was stirred for 30 min

on ice and centrifuged at 100 000 g for 1 h The supernatant

(about 300 mL) was supplemented with protease inhibitors

(concentrations as above) and then added in batch to 50 mL

of chelating Sepharose, loaded with Ni2+ions and

equili-brated in buffer NiA (50 mMHepes/KOH, pH 7.4, 200 mM

NaCl, 30% glycerol, 50 mMimidazole, 0.1% DDM, 0.02%

CHS), resulting in a ®nal imidazole concentration of less

than 15 mM The suspension was slowly stirred for 3 h and

then packed into an Econo-column (Bio-Rad) with 5 cm

diameter The resin was washed at 9 mLámin)1with 600 mL

of buffer NiA supplemented with protease inhibitors (see

above) Bound receptor was eluted with 150 mL of buffer

NiB (50 mM Hepes/KOH, pH 7.4, 200 mM NaCl, 30%

glycerol, 400 mM imidazole, 0.1% DDM, 0.02% CHS,

0.5 mMphenylmethanesulfonyl ¯uoride, 0.25 lgámL)1

leu-peptin, 0.35 lgámL)1pepstatin) at 5 mLámin)1 NaCl and

imidazole concentrations were reduced by adding 150 mL of

buffer XDil (50 mM Hepes/KOH, pH 7.4, 30% glycerol,

0.1% DDM, 0.02% CHS, 0.5 mMphenylmethanesulfonyl

¯uoride, 0.25 lgámL)1leupeptin, 0.35 lgámL)1pepstatin)

and the solution was passed through a 0.22-lm ®lter

(Stericup, Millipore) XAC-agarose gel (10 mL), packed

into an XK 26 column (Amersham Pharmacia), was

equilibrated with buffer XA (50 mMHepes/KOH, pH 7.4,

100 mM NaCl, 30% glycerol, 0.1% DDM, 0.02% CHS)

The ®ltered sample (about 300 mL) was loaded onto the

column overnight at 0.35 mLámin)1and the column was

washed at 0.8 mLámin)1with about 60 mL of buffer XA

supplemented with protease inhibitors The receptor was

eluted at 25 °C in buffer XA, supplemented with 20 mM

theophylline and protease inhibitors, at a ¯ow rate of

0.6 mLámin)1 Due to the strong absorption of theophylline

at 280 nm, elution could not be monitored spectroscopically

However, as judged from protein gels, the receptor was

almost completely eluted after 70 mL of elution buffer

70 mL of the XAC-agarose gel eluate were diluted with

70 mL of buffer QDil (50 mMHepes/KOH, pH 7.4, 30%

glycerol, 0.1% DDM, 0.02% CHS, 0.5 mM

phenyl-methanesulfonyl ¯uoride, 0.25 lgámL)1 leupeptin,

0.35 lgámL)1pepstatin) and passed through a 0.22-lm ®lter

A prepacked 5 mL HiTrap Q Sepharose column was washed with 25 mL of buffer QA (50 mM Hepes/KOH,

pH 7.4, 50 mMNaCl, 30% glycerol, 0.05% DDM, 0.01% CHS) followed by 25 mL of buffer QB (50 mM Hepes/ KOH, pH 7.4, 1M NaCl, 30% glycerol, 0.05% DDM, 0.01% CHS) and then equilibrated with 30 mL of buffer

QA The sample (140 mL) was loaded at 1.5 mLámin)1 After washing with 60 mL of buffer QA at 2.5 mLámin)1, the receptor was eluted with 14% of buffer QB (183 mM NaCl) at 1 mLámin)1and 1.5 mL fractions were collected Peak fractions were pooled and concentrated using an Ultrafree-15 centrifugal concentrator (50 000 molecular weight cut-off, Millipore) Concentrated material was either used immediately for 2D crystallization trials (not shown), stored at 4 °C, or frozen in liquid nitrogen for long-term storage

Radioligand binding All binding assays were carried out in polystyrol tubes using LBA buffer (20 mM Hepes/KOH, pH 7.4, 100 mM NaCl) and the A2a receptor speci®c antagonist [3H]ZM241385 Samples were incubated on ice unless stated otherwise The incubation time was 3 h for compe-tition binding assays, 1.5 h for one-point saturation assays and for saturation experiments, and 1 h for saturation experiments performed at room temperature These times were suf®cient to reach equilibrium as association and dissociation of ZM241385 to the A2areceptor is fast [21] even at low temperature (0±4 °C) (data not shown) Nonspeci®c binding was determined in the presence

of 2.5±3.2 mM theophylline Adenosine deaminase (0.5 UámL)1) was included in all assays to remove adenosine, except for saturation and competition binding experiments on puri®ed receptor

Amounts of tritiated antagonist were determined by liquid scintillation counting Binding data were analysed by nonlinear least-squares ®tting using the programGRAPHPAD PRISM Competition curves were ®tted to the four-parameter logistic function

Assays on membrane-bound receptors For one-point saturation assays, membranes or E coli cells were incubated

in a total volume of 400 lL containing 6±9 nM [3H]ZM241385 Competition binding assays using mem-branes were performed in a ®nal volume of 1.2 mL with [3H]ZM241385 at a concentration of 0.75 nM In saturation experiments on membranes, the total volume was 1.5 mL Bound and free ligand were separated by rapid vacuum

®ltration over GF/B ®lters soaked in 0.3% polyethyleni-mine Filtration was carried out with a Brandel cell harvester at 4 °C Filters were washed three times with ice-cold buffer (20 mMHepes/KOH, pH 7.4) For calcula-tion of the parameter Ôreceptors per cellÕ, the number of cells growing in suspension was estimated by measuring

D600: a D600 of 1 was assumed to correspond to

109cellsámL)1 Assays on solubilized receptors Assays were performed in LBA buffer containing 0.1% DDM and 0.02% CHS in a volume of 200 lL (one-point saturation assays) or 300 lL (saturation and competition experiments) The concentra-tion of [3H]ZM241385 was 0.75 nMin competition assays

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and 12±18 nMin one-point saturation assays Bound and

free ligand were separated by gel ®ltration using NICK

Spin columns Columns were equilibrated in LBA buffer

containing 0.1% DDM and 0.02% CHS, precooled to

4 °C and precentrifuged for 3 min at 500 g (4 °C)

Aliquots of the assay mix (100 lL for one-point saturation

assays, and 170 lL in saturation and competition

exper-iments) were loaded and receptor-bound ligand was eluted

by spinning at 630 g (4 °C) Binding analysis on receptors

solubilized in DeM or UM were performed as above

except that DDM was substituted for 0.1% DeM or 0.1%

UM in the assay mix and NICK Spin equilibration buffer

Theophylline, present in samples eluted from the ligand

af®nity column, was removed by gel ®ltration using

PD10 columns equilibrated in buffer consisting of 20 mM

Hepes/KOH, pH 7.4, 100 mM NaCl, 0.1% DDM and

0.02% CHS

SDS/PAGE and N-terminal sequencing

Proteins were incubated in sample buffer (125 mM Tris/

HCl, pH 8.1, 3.75% SDS, 12.5% glycerol, 6%

2-mercap-toethanol, 0.002% Bromophenol Blue) at room

tempera-ture for at least 15 min and separated by SDS/PAGE on

high-molarity Tris buffered gels [22] For N-terminal

sequencing, the protein was electro-blotted onto

poly(viny-lidene di¯uoride) membranes (Immobilon-P, Millipore) as

described previously [23] Sequence analyses were

per-formed with an Edman automated N-terminal protein

sequencer (Procise 494, Applied Biosystems)

Protein assay and amino-acid analysis

Protein concentrations were determined by the Amido black

assay [24] using BSA as a standard For the puri®ed

receptor, amino-acid analysis was performed on a Biochrom

20 amino-acid analyser (Amersham Pharmacia) after

hydrolysis in 6M HCl for 18 h at 110 °C Comparing

results from amino-acid analysis and Amido black assays

indicated that the latter underestimated the amount of

puri®ed receptor fusion protein by 12% Protein

concen-trations of ®nal puri®ed receptor given in the text and tables

have been corrected accordingly

R E S U L T S

Expression

For work aiming at structural and biophysical studies on

GPCRs, high expression levels are essential As the

expres-sion level of a given receptor is dif®cult to predict, we

performed an initial screen, expressing the cDNAs of four

different human GPCRs (somatostatin receptors S2and S4,

and adenosine receptors A1 and A2a) Two expression

systems were investigated In E coli, all four receptors were

N-terminally fused to MBP, whereas in the yeast Pichia

pastoris they were N-terminally fused to the a-factor

prepropeptide (S2 and A1 receptors only) We employed

vectors previously used for the successful expression at high

levels of the rat neurotensin receptor in E coli and of the

mouse 5HT5A5-hydroxytryptamine and human b2

-adren-ergic receptors in P pastoris [20,25] All receptor fusion

proteins could be detected by immunoblot-analyses

Radioligand binding-analyses on E coli and P pastoris membrane preparations, containing the S2 or the S4 somatostatin receptor fusion protein did not reveal speci®c binding of the agonist somatostatin In contrast, the adenosine A1 receptor fusion proteins displayed high af®nity binding of the antagonist [3 H]8-cyclopentyl-1,3-dipropylxanthine in both expression systems; expression levels of functional A1 receptor were 3±4 nmol and 1±2 nmol per litre of shake ¯ask culture in E coli and in

P pastoris, respectively (data not shown)

Best expression levels, deduced from immunoblot- and radioligand binding-analyses, were achieved with the hA2aR using E coli as the expression host This receptor and expression system were therefore pursued Expression

of the hA2aR (construct M-A2a-H10F; Fig 1) was suf®-ciently high to start puri®cation However, the receptor C-terminus was sensitive to proteolysis after solubilization

A second construct, M-A2a-TrxA-H10F (Fig 1), allowed identi®cation of the major C-terminal degradation product This information was used to make a number of protease resistant constructs truncated at the C-terminus One of those (M-A2aTr316-H10; Fig 1) was used for the puri®ca-tion and characterizapuri®ca-tion described here

Culture conditions were optimized for functional expres-sion of hA2aR using the construct M-A2a-H10F (Fig 1) Addition of glucose (0.2% (w/v) or more) to the medium increased the ®nal cell density from an D600of about 1.5 to a

D600of about 6 The number of receptors per cell, monitored

by binding of [3H]ZM241385 to whole E coli cells, increased about fourfold by including 0.2% glucose, but decreased again at higher glucose concentrations (0.4%) Addition of theophylline (50±100 lM) to the medium improved the expression level by another 10±30% per volume Induction

at a D600of 0.6±1.0 was optimal whereas earlier induction resulted in poor cell growth Neither the concentration of IPTG within a certain range (100 lM)1 mM), nor the use of different E coli strains (BL21, CAG627, KS474), had a signi®cant effect on expression levels To achieve the highest levels of functional receptors, cells were grown for 22±28 h after induction; longer growth (40 h) did not improve expression further The conditions described in the Materials and methods section resulted in receptor concentrations of 10±20 nmol per L of culture, or 1000±2000 receptors per cell This corresponds to 17±34 pmol receptor per mg of mem-brane protein Constructs coding for full-length receptors gave on average better expression than the truncated form used for puri®cation

Solubilization Solubilization from membranes is necessary for puri®cation

of a membrane protein However, for fragile membrane proteins such as GPCRs, it is dif®cult to ®nd conditions that allow ef®cient extraction and maintain structural integrity

We used radioligand binding assays to monitor hA2aR integrity and stability Approximately 70±90% of speci®c [3H]ZM241385 binding sites were solubilized from mem-brane preparations using DDM Use of the shorter chain derivatives UM and DeM resulted in poorer recoveries, and the solubilized receptor was less stable (Fig 2) Addition of the cholesterol derivative CHS to solubilization experiments increased the recovery to nearly 100% for all three alkylmaltoside detergents, and increased the stability of

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receptors solubilized in UM and DeM (Fig 2) Receptor

half-lives in the solubilized fraction (deduced from two

experiments, one of which is given in Fig 2) were 7 days

using DeM, 26 days using UM and 40±130 days using

DDM When CHS was employed in combination with any

of the three alkylmaltosides, half-lives were in the range

40±130 days Both the full-length hA2aR (M-A2a-H10F)

and the truncated form (M-A2aTr316-H10) behaved

identically in these experiments For puri®cation of

M-A2aTr316-H10, solubilization was carried out with

DDM and CHS, starting with whole cells instead with

membrane preparations Recoveries were lower (50±60%);

however, the time consuming membrane preparation and

losses in this step (usually more than 40%) were avoided

Truncation of the receptor C-terminus

Compared to other members of the rhodopsin family,

hA2aR has a long C-terminus consisting of amino acids

294±412 [26] Its susceptibility to proteolysis has been

discussed previously [14,27] Immunoblot analysis indicated

that the C-terminus of the fusion protein M-A2a-H10F was

rapidly cleaved upon solubilization, whereas the

membrane-bound receptor was more resistant Proteolysis could be reduced by neither the use of protease de®cient E coli strains (CAG 627, KS 474), nor with additional protease inhibitors (DFP, Pefabloc, a2 macroglobulin, complete protease inhibitor mix (Boehringer), (4-amidinophenyl)-methanesulfonyl ¯uoride, results not shown) IMAC start-ing with solubilized M-A2a-TrxA-H10F fusion protein allowed the isolation of a C-terminal degradation product that was subject to N-terminal sequence analysis The resulting amino-acid sequence Leu-Val-Ser-Gly-Gly-Ser-Ala-Gln is found in the receptor C-terminus starting from Leu365 As shortening of the C-terminus by 95 residues has been shown to affect neither ligand binding properties nor adenylate cyclase activation nor functional desensitization [26], we focused on the fusion protein M-A2aTr316-H10 where the C-terminus is truncated by 95 residues This truncated fusion protein was puri®ed without any sign of proteolytic degradation

Puri®cation The optimized large-scale puri®cation of the fusion protein M-A2aTr316-H10 from 100 g of E coli cells is documented

in Table 1 and Fig 3 The ®nal recovery from three preparations carried out on identical scale was 29 (‹ 2)%

of the total solubilized fraction The experimental value for speci®c radioligand binding was 13.7 (‹ 0.8) nmolámg)1, which is in agreement with the theoretical value of

13 nmolámg)1 for the 77-kDa fusion protein, assuming one ligand binding site per molecule Puri®cation of protein starting from 70 g of cells gave similar results The following parameters were investigated to optimize the puri®cation procedure Batch loading of the IMAC resin resulted in much better recoveries (> 50%) compared to column loading (< 20%) Batch binding of the receptor fusion protein to the IMAC gel was relatively slow, requiring 3 h to achieve greater than 80% binding The presence of E coli thioredoxin between the truncated receptor C-terminus and the deca-histidine tag accelerated binding to the IMAC gel (data not shown), probably by improving the accessibility of the tag However, this was not investigated further as good recoveries were achieved for M-A2aTr316-H10 by batch loading for 3 h using suf®cient amounts of Ni2+loaded chelating Sepharose The binding capacity of the gel was found to be low ( 100 lg of fusion protein per mL of gel

as judged from speci®c [3H]ZM241385 binding) The binding capacity of Ni2+loaded chelating Sepharose was slightly higher compared to that of Ni-nitrilotriacetic acid agarose but so was the background binding

Fig 2 Solubilization and stability of hA2aR (M-A2aTr316-H10) in

di€erent alkylmaltosides, with or without addition of CHS

Solubiliza-tion from membranes and one-point saturaSolubiliza-tion assays were carried out

as described in the Materials and methods section Solubilized

frac-tions were stored at 4 °C in membrane solubilization bu€er for the

time indicated Solubilization was in 1% DeM (j,h), 1% UM (.,,)

or 1% DDM (d,s) with (®lled symbols) or without (open symbols)

the addition of 0.2% CHS In many cases, the error bars are smaller

than the symbols Results shown are from one of two experiments.

Table 1 Puri®cation of the fusion protein M-A2aTr316-H10 from 100 g of E coli cells (data from one representative experiment) The puri®cation was performed as described in the Materials and methods section Total receptor was determined by one-point saturation binding of [ 3 H]ZM241385 Total protein was determined with the Amido black assay [24] and this was corrected by the results from amino-acid analysis (+ 12%) for the puri®ed receptor (Q Sepharose eluate).

Total receptor (pmol) Relative yield(%) Protein concn(mgámL )1 ) Total protein(mg) Speci®c binding(pmolámg )1 ) Puri®cation(fold) Solubilized material 70896 100 24.6 7306 9.7 1

XAC ¯ow through 8735 (12) 0.128 44.8 195 ±

Q Sepharose eluate 18091 26 0.200 1.5 12061 1243

Trang 6

IMAC puri®ed M-A2aTr316-H10 bound almost

quantita-tively to the ligand af®nity matrix when loaded slowly

(0.23 mLámin)1, Fig 4), indicating that the majority of the

receptor protein was correctly folded For scaling up, ¯ow

rates were increased to 0.35 mLámin)1to allow the

prepa-ration to be completed within 2 days, leading to slightly

poorer binding to the XAC-agarose (Fig 3; Table 1)

Elution from the ligand af®nity column was slow even at

increased temperature (25 °C) resulting in a dilute eluate

The low af®nity antagonist theophylline was used for

elution as high af®nity hA2aR antagonists are hardly

soluble in aqueous buffers In some experiments the

antagonist ZM241385 was used for elution However, it

was found to bind nonspeci®cally to the XAC-agarose

Theophylline was removed by gel ®ltration before

quanti-fying speci®c [3H]ZM241385 binding in the XAC-agarose

eluate The value obtained was only 50±80% of the

theoretical value calculated for pure and fully functional

receptor Possible reasons for this ®nding are: (a)

quanti-®cation of binding sites is inaccurate (presence of

theoph-ylline) or (b) denaturation of some receptor due to the

increased temperature used for elution from the ligand

column However, the ®nal ion-exchange step increased the

speci®c radioligand binding to its theoretical value This

might result from the complete removal of theophylline in

this step or the separation of denatured protein from

functional receptor Indeed, receptor protein with low

speci®c binding (0.2±8 nmolámg)1) is eluted from the

ion-exchange column at high salt concentrations (Fig 3, lane 7)

Integrity and stability of the puri®ed protein

M-A2aTr316-H10

The puri®ed receptor runs in SDS/PAGE gels as a single,

slightly diffuse band with an apparent molecular mass of

65 kDa (Fig 3, lane 6), which deviates by 12 kDa from the calculated value of 77 kDa To show that this resulted from atypical running behaviour, frequently observed with membrane proteins, rather than from proteolysis, we veri®ed the identity of the hA2aR fusion protein by speci®c radioligand binding (see below), N-terminal sequencing and amino-acid analysis The sequence obtained, namely Lys-Ile-Glu-Glu-Gly-Lys-Leu-Val-Ile-Trp corresponds to the N-terminus of the mature maltose-binding protein Binding

of the fusion protein to the IMAC gel in buffer containing

50 mMimidazole indicates the presence of the C-terminal histidine tag We conclude that the 65-kDa band observed

in SDS acrylamide gels corresponds to the 77-kDa fusion protein

When stored at 4 °C in buffer consisting of 50 mM Hepes/KOH, pH 7.4, 200 mMNaCl, 30% glycerol, 0.1% DDM and 0.02% CHS, speci®c [3H]ZM241385 binding of the puri®ed receptor decreased to 81% over 40 days corresponding to a half-life of 3.5±6.0 months (one exper-iment, ®ve time points) In another experexper-iment, the in¯uence

of speci®c ligands on the stability of puri®ed receptor was tested at 4 °C in buffer consisting of 50 mMHepes/KOH,

pH 7.4, 100 mM NaCl, 6% glycerol, 0.05% DDM and 0.01% CHS Ligands were added at concentrations of 10±20 times their Kivalue Without ligand, a half-life of 33 days was obtained This increased to 77 days in the presence of NECA (agonist) and 53 days in the presence of theophylline (antagonist) (one experiment, eight time points over a period of 116 days, a one-phase exponential decay curve was ®tted to the data) Addition of the antagonist CGS15943 had no effect

Fig 3 Puri®cation of hA2aR (M-A2aTr316-H10) from E coli cells.

The puri®cation was performed as described in the Materials and

methods section and is quantitatively documented in Table 1 The

following fractions were analysed by 10% SDS/PAGE and silver

staining Lane 1, high molecular mass standard (Sigma); lane 2, 1.5 lg

of the solubilized fraction; lane 3, 0.5 lg of IMAC eluate; lane 4, 0.5 lg

of XAC ¯ow through; lane 5, 0.2 lg of XAC eluate; lane 6, 0.2 lg of Q

Sepharose eluate (eluted with 14% bu€er QB, ®nal puri®ed fraction);

lane 7, 0.2 lg of protein eluted with 100% bu€er QB from the Q

Sepharose.

Fig 4 E coli expressed and solubilized hA2aR (M-A2aTr316-H10) binds speci®cally and quantitatively to a XAC-agarose gel Shown is a section of a 10% silver-stained SDS/PAGE gel Lane 1, 0.4 lg of the fraction loaded onto the XAC-agarose (IMAC puri®ed); lane 2, 0.4 lg

of the XAC-agarose ¯ow through fraction; lane 3, 0.2 lg of protein eluted with 20 m M theophylline The arrow points to the M-A2aTr316-H10 fusion protein Note that the main contamination, seen in lane 1, runs only marginally above the hA2aR fusion protein and is the main band in lane 2 In this puri®cation, 7% of speci®c ligand binding sites loaded onto the XAC-agarose were detected in the

¯ow through fraction The puri®cation was carried out as outlined in the Materials and methods section but starting from 70 g of cells Ni-nitrilotriacetic acid agarose was used for the IMAC step and washing and elution were carried out with 35 and 200 m M imidazole, respectively The XAC-agarose was loaded at a ¯ow rate of 0.23 mLámin )1

Trang 7

Signi®cance of CHS for receptor stability during puri®cation

DDM-solubilized M-A2aTr316-H10 (no CHS added) had a half-life of more than 40 days when stored at 4 °C (Fig 2, s) However, subsequent puri®cation performed in DDM without CHS resulted in low recovery of functional receptor (0.4 nmol of speci®c [3H]ZM241385 binding sites, starting from 54 nmol) Despite near homogeneity, as seen

on SDS/PAGE gels, the DDM-puri®ed receptor displayed low values for speci®c binding (465 pmolámg)1), indicating loss of receptor functionality

A detailed investigation showed that CHS was essential

to maintain receptor functionality during the course of puri®cation The half-live of DDM-solubilized receptor was reduced to less than 1 day by enrichment using IMAC (Fig 5, j) Addition of CHS during solubilization and into the puri®cation buffers increased the stability of IMAC puri®ed receptor by at least 20-fold (Fig 5B, s) Addition

of CHS during solubilization, but not during the subsequent IMAC step, was not suf®cient to maintain the receptor stable (Fig 5B, m)

The presence of CHS not only improved solubilization recoveries using different alkylmaltoside detergents (Fig 2), but also allowed a pure and stable receptor preparation to

be achieved

Ligand binding studies The quanti®cation of interactions with speci®c ligands allows the structural integrity and homogeneity of a puri®ed receptor protein to be judged The M-A2aTr316-H10 fusion protein displayed high af®nity binding to all ligands tested both in membrane-bound and puri®ed form Af®nities to agonists were about one order of magnitude higher for the puri®ed receptor compared to those for the membrane-bound form, whereas antagonist af®nities were similar in both cases (Table 2)

Ligand binding on puri®ed receptor protein was carried out at 0±4 °C to avoid receptor denaturation at higher temperatures Binding to membrane-bound receptors was performed on ice and at room temperature Puri®ed receptors displayed a single af®nity for the antagonist [3H]ZM241385 (Fig 6C) with a Kd value of 0.19 ‹ 0.02 nMand a Bmaxvalue of 12.4 ‹ 0.5 nmolámg)1 (n ˆ 3) In contrast, data from saturation experiments on

Fig 5 The stability of solubilized hA2aR (M-A2aTr316-H10) during

puri®cation is dependent on the presence of CHS (A) Solubilized

frac-tion (B) IMAC puri®ed fracfrac-tion Solubilization and puri®cation by

IMAC was performed as described in the Materials and methods

section starting with 10 g of cells for each condition described

Sus-pension of cells for solubilization was achieved using a potter instead of

a blender Ni-nitrilotriacetic acid agarose was used for the IMAC step.

Washing and elution were carried out with 35 and 200 m M imidazole,

respectively One-point saturation assays with [ 3 H]ZM241385 were

performed as outlined in the Materials and methods section, with

0.02% CHS in all binding assays The results shown are from one of

two independent experiments In many cases, the error bars are smaller

than the symbols j, no CHS added for solubilization and

puri®ca-tion; m, 0.2% CHS in solubilization bu€er and no CHS in bu€er NiA

and NiB; s, 0.2% CHS in solubilization bu€er and 0.02% in bu€ers

NiA and NiB.

Table 2 Pharmacological pro®le of M-A2aTr316-H10 in membrane-bound and puri®ed form Values are from at least two independent experiments analysed using the four-parameter logistic function and given as mean ‹ standard error Membrane preparation, puri®cation and competition experiments were carried out as outlined in the Materials and methods section Incubation of assays was on ice for 3 h with [ 3 H]ZM241385 at a concentration of 0.75 n M K i values for binding to the puri®ed receptor were calculated according to Cheng & Pruso€ [53] with a K d for [ 3 H]ZM241385 of 0.19 n M

Ligand

Membrane-bound receptor Puri®ed receptor

IC 50 ( M ) n IC 50 ( M ) K i ( M ) n Agonists

NECA 3.6 ‹ 0.2 ´ 10 )6 0.73 ‹ 0.04 3.9 ‹ 0.2 ´ 10 )7 7.9 ´ 10 )8 0.96 ‹ 0.06 R-PIA 6.5 ‹ 0.4 ´ 10 )5 0.87 ‹ 0.18 6.5 ‹ 0.1 ´ 10 )6 1.3 ´ 10 )6 1.01 ‹ 0.02 Antagonists

Theophylline 2.3 ‹ 0.3 ´ 10 )5 0.94 ‹ 0.11 1.3 ‹ 0.3 ´ 10 )5 2.7 ´ 10 )6 1.19 ‹ 0.15 XAC 1.7 ‹ 0.4 ´ 10 )7 0.96 ‹ 0.06 1.6 ‹ 0.2 ´ 10 )7 3.2 ´ 10 )8 1.12 ‹ 0.11

Trang 8

ice, using membrane-inserted receptors were signi®cantly

(P < 0.01) better ®tted assuming two binding sites (®ve out

of six experiments) with a Kd1 value of 0.10 ‹ 0.03 nM

(44 ‹ 5% of binding sites) and a Kd2 value of

1.42 ‹ 0.47 nM (56 ‹ 5% of binding sites) (Fig 6A)

However, at room temperature, membrane-bound receptors

displayed only one af®nity for the antagonist (Kdvalue of

0.65 ‹ 0.02 nM, n ˆ 2) (Fig 6B) Bmax values for

mem-brane-bound receptors were 10±20% higher when

measure-ments were carried out on ice rather than at room

temperature

Unlabeled adenosine receptor ligands, tested at 0 °C,

inhibited speci®c [3H]ZM241385 binding to both

mem-brane-bound and puri®ed hA2aR by more than 90% at the

highest concentrations used (6.7 mMtheophylline, 200 lM

XAC, 2 mM NECA, 2 mM R-PIA; Fig 7) The agonist

NECA bound with higher af®nity to membrane-bound and

puri®ed hA2aR than the agonist R-PIA, which is a typical

feature of the adenosine A2a receptor The rank order of

potency for the puri®ed receptor (XAC > NECA > R-PIA

> theophylline; Fig 7B; Table 2) is identical to that

reported for membrane-bound hA2aR expressed in CHO

cells [28,29] In contrast, the rank order was found to be

different for the membrane-bound M-A2aTr316-H10

receptor (XAC > NECA > theophylline > R-PIA;

Fig 7A) Pseudo-Hill coef®cients, derived from agonist

competition curves on membrane-bound receptors, were

smaller than unity, despite the absence of G proteins in

E coli For antagonist competition curves, pseudo-Hill

coef®cients were  1 A similar behaviour, with agonist, but

not antagonist, pseudo-Hill coef®cients < 1 and no guanine

nucleotide effect, was reported for the dopamine D2S

receptor expressed in insect cells [30] All competition curves

obtained for puri®ed receptors displayed pseudo-Hill

coef-®cients  1

D I S C U S S I O N

Puri®cation of a hA2aR fusion protein (M-A2aTr316-H10),

expressed in E coli, resulted in 1.5 mg of homogenous, fully

functional protein from 100 g of wet cells The amount of

puri®ed receptor protein is at least 100-fold greater than that

for adenosine A1receptor obtained from different tissues or

Fig 6 Saturation binding of [ 3 H]ZM241385 to membrane-bound and puri®ed hA2aR (M-A2aTr316-H10) Membrane preparation, receptor

puri-®cation and ligand binding analyses were performed as outlined in the Materials and methods section The results shown are from one of six (A), two (B) or three (C) experiments performed in duplicate In many cases, the error bars are smaller than the symbols (A) Saturation binding to membrane-bound M-A2aTr316-H10 at 0±4 °C (B) Saturation binding to membrane-bound M-A2aTr316-H10 at room termperature ( 25 °C) (C) Saturation binding to puri®ed M-A2aTr316-H10 at 0±4 °C Insets: Scatchard transformation of the binding data B, bound; F, free K d values determined by nonlinear least-squares ®tting are given in the results section.

Fig 7 Displacement of [ 3 H]ZM241385 binding to membrane-bound and puri®ed hA2aR (M-A2aTr316-H10) Membrane preparation, receptor puri®cation and ligand binding analyses were performed as outlined in the Materials and methods section Incubation was on ice for 3 h in LBA bu€er which was supplemented with 0.1% DDM/ 0.02% CHS for the analysis of puri®ed receptors [ 3 H]ZM241385 was present at a concentration of 0.75 n M The results shown are from one

of at least two independent experiments Ligands used for displace-ment were: m, NECA; j, R-PIA; ,, theophylline; s, XAC (A) Displacement curves for membrane-bound M-A2aTr316-H10 (B) Displacement curves for puri®ed M-A2aTr316-H10 IC 50 values for the displacing drugs are given in Table 2.

Trang 9

for tagged A1 receptor puri®ed from stably transfected

CHO cells [17,31] To date, no quanti®ed puri®cation of the

adenosine A2areceptor has been reported The availability

of milligram quantities of functional M-A2aTr316-H10

fusion protein will allow extensive crystallization trials

The adenosine A2areceptor is expressed to high levels in a

functional form in insect cells using the baculovirus

expression system [32] In contrast, expression levels in

mammalian cells are low [28,29] We have achieved

expression of correctly folded hA2aR in E coli by using a

vector system optimized for expression of functional

GPCRs [20,33] The level of functional expression is

amongst the highest reported for a GPCR in the E coli

system [7,8,10] Remarkably, the fraction of correctly folded

receptors in the solubilized material was close to 100% as

indicated by the high degree of speci®c binding to a ligand

af®nity column (Fig 4) In contrast, a high proportion of

misfolded protein in membranes and sometimes also in the

solubilized fraction is reported for some membrane proteins

expressed in insect cells [34,35] Furthermore, the lack of

glycosylation in E coli excludes one source of heterogeneity

and can therefore be considered as an advantage for

crystallization

Shortening of the hA2aR C-terminus was necessary in

this work to achieve protease resistance and to allow a

homogeneous receptor preparation As shown previously in

mammalian cells, a deletion after Ala316, corresponding to

the truncation used in this study, did not in¯uence receptor

properties such as ligand binding, adenylate cyclase

activa-tion and funcactiva-tional desensitizaactiva-tion [26] In agreement with

this, previous work also showed that shortening of the

C-terminus in combination with prevention of receptor

glycosylation did not alter the ligand binding properties of

the canine adenosine A2areceptor [27] This indicates that

the truncated receptor puri®ed by us is suf®cient to ful®l the

main receptor functions and is appropriate for structural

and biophysical investigations Comparison of the

amino-acid sequences of adenosine receptors with those of other

GPCRs indicates that the C-terminus of the adenosine A2a

receptor consists of about 120 amino acids, which compares

to only 30±45 amino acids for the other three known

adenosine receptors The functional signi®cance of this long

C-terminus is so far unclear, but it is likely to be involved in

A2areceptor speci®c protein±protein interactions

Ef®cient functional extraction from membranes and

stability of solubilized GPCRs are crucial to obtain

suf®cient protein for structural studies Solubilization of

functional GPCRs has in many cases been achieved with

digitonin [15,36,37] However, impurities and batch

varia-tions make it unsuitable for reproducible puri®cation and

subsequent crystallization experiments [38] In contrast, the

alkylmaltosides employed in this study are chemically well

de®ned and commercially available at high purity The

combination of the cholesterol derivative CHS and different

alkylmaltosides allowed highly ef®cient solubilization of A2a

receptor in functional form The reported recoveries of

speci®c ligand binding sites (100% from membranes and

50±60% from whole cells) compare favourably to the

 25% solubilization ef®ciency of adenosine A2areceptor

from striatal membranes obtained with Chaps/cholic acid,

with Chaps and with digitonin [39±41] Using our detergent

combinations, hA2aR was much more stable in solubilized

as well as puri®ed form than A2areceptor solubilized with

Chaps [40] that lost 45% of binding sites within 15 days CHS has been bene®cial for the stability of solubilized somatostatin receptor from pancreatic acinar cells [42], for puri®cation of the rat neurotensin receptor [20] and for functional solubilization of the mouse 5HT5a hydroxytryp-tamine receptor expressed in yeast [43] The bene®cial effects

of CHS on receptor integrity could be due to its structural similarity to cholesterol for which a direct or indirect in¯uence on receptor function has been shown for a number

of GPCRs [44,45] CHS in combination with different alkylmaltosides is thus an alternative to digitonin in functional puri®cation of GPCRs However, preliminary results from analytical gel ®ltration experiments show that addition of CHS results in broad peaks indicating a substantial heterogeneity in micelle size

Even in cases of good expression, a 250- to 2500-fold enrichment is typically necessary to purify a GPCR from a recombinant source This level of puri®cation is usually not possible in a single step [20,32,34,36] We used IMAC as an ef®cient ®rst step to capture the fusion protein M-A2aTr316-H10 The deca-histidine tag allowed IMAC

to be performed under more stringent conditions compared

to shorter histidine tags, resulting in better enrichment [46] However, in contrast to results obtained with a deca-histidine tagged neurotensin receptor [46], the binding of M-A2aTr316-H10 to Ni-nitrilotriacetic acid resin packed into a column was extremely poor, with recoveries not exceeding 20% testing a variety of conditions In contrast, good binding was achieved by batch-loading allowing suf®cient time The subsequent ligand af®nity step resulted

in an almost homogenous preparation (Fig 3, lane 5) A XAC-based af®nity gel has been used for puri®cation of adenosine A1 receptors [15±17] but not for enrichment of functional A2a receptors The M-A2aTr316-H10 fusion protein bound very ef®ciently to the XAC gel (Fig 4) Fast elution to give a high receptor concentration was dif®cult, and best results were obtained by increasing temperature and using high concentrations of the weak antagonist theophylline combined with low ¯ow rates The ®nal ion-exchange step allowed removal of theophylline, and a reduction of volume and detergent concentration The higher degree of receptor homogeneity obtained by the ion-exchange step will help crystallization This step also allows fast detergent exchange in preparation for crystallization experiments

The M-A2aTr316-H10 fusion protein was characterized

by ligand binding analyses to judge its identity and integrity Binding of the antagonist [3H]ZM241385 was speci®c and saturable for both membrane-bound and puri®ed receptors The Kdvalue obtained for the membrane-bound hA2aR fusion protein at room temperature (0.65 nM) is in good agreement with a Kivalue of 0.8 nMmeasured at 25 °C for the hA2aR expressed in HEK-293 cells [47] In contrast to experiments performed at room temperature, two af®nity states were resolved when binding assays were performed at 0±4 °C (Fig 6A,B) The rank order of potency was also found to be altered in competition experiments with membrane-bound receptor conducted at 0 °C (Fig 7, Table 2) compared to that reported for hA2aR assayed at higher temperature [28,29] These observations are in agreement with data from binding experiments performed with membrane-bound adenosine A2a receptor at 21 and

0 °C using a eukaryotic expression system [48] The

Trang 10

observed changes could result from an altered membrane

¯uidity and lateral pressure on the membrane-bound

receptor at low temperature, similar to effects due to a

changed lipid composition [49,50]

The puri®ed receptor displayed a single apparent af®nity

for each ligand tested, including [3H]ZM241385 (Table 2)

and an identical rank order of potency as the hA2aR in

CHO cell membranes (XAC > NECA > R-PIA >

theophylline), determined by using agonist or antagonist

radioligands [28,29] Ki values for the puri®ed receptor

compare to Ki values determined for membrane-bound

hA2aR on platelets or expressed in CHO cells [28,29] as

follows R-PIA: 1.3 lM(E coli), 0.86 and 0.68 lM(CHO),

1.6 lM(platelets); NECA: 79 nM (E coli), 66 nM (CHO),

30 nM (platelets); XAC: 32 nM (E coli), 1 and 4 nM

(CHO), 5 nM(platelets); theophylline: 2.7 lM(E coli), 1.7

and 5 lM (CHO) The presence of 100 mM NaCl in our

assays, but not in the assays performed with platelet and

CHO cell membranes may explain the reduced af®nity

towards XAC NaCl (100 mM) was shown to reduce

binding of [3H]XAC (1 nM) to striatal A2areceptor by about

50% in membrane-bound and solubilized form and to

reduce agonist binding [40] Agonist af®nities increased by

one order of magnitude upon solubilization and

puri®ca-tion, whereas antagonist af®nities remained similar

(Table 2) Increased agonist af®nities of solubilized GPCRs

have been observed before [37,51,52] In case of the striatal

adenosine A2areceptor high agonist af®nity of solubilized

receptor was believed to result from G protein coupling

[39,41] This was supported by a reversible reduction of the

number of agonist binding sites by addition of GTP [39] We

conclude that solubilized A2a receptor fusion protein

displays high agonist af®nity in absence of G proteins

C O N C L U S I O N

In this report we describe methods for the expression,

solubilization and puri®cation of a hA2aR fusion protein in

quantity and quality suf®cient for biophysical

characteriza-tion and crystallizacharacteriza-tion The following points made the

puri®cation of large amounts of functional hA2aR possible:

(a) ®nding conditions for high level functional expression of

hA2aR; (b) creating a protease resistant receptor form; (c)

®nding conditions that allow solubilization and puri®cation

without denaturation; and (d) employing methods that

allow good enrichment at large scale with minimal losses of

functional receptor protein

The hA2aR was characterized pharmacologically for the

®rst time in puri®ed form The ligand binding properties of

the puri®ed receptor were found to be similar to those in its

natural environment or expressed in an eukaryotic system

All puri®ed protein molecules bound the tested ligands with

one apparent af®nity, indicating a high degree of

confor-mational homogeneity The methodology we describe opens

the way to a wide range of biophysical and structural

studies We have started to use the puri®ed material for 2D

crystallization trials

A C K N O W L E D G E M E N T S

We thank Sew Peak-Chew for N-terminal sequencing and David Owen

for the amino acid analysis Jim Coote (GlaxoWellcome) has provided

the receptor cDNAs and given valuable advice We are grateful to Joyce

Baldwin, Wasyl Feniuk (Glaxo Institute for Applied Pharmacology) and Mike Sheehan (GlaxoWellcome) for helpful discussions, and to Awinder Sohal, Richard Henderson and Chris Tate for comments on the manuscript and helpful discussions This project was supported by GlaxoWellcome, AstraZeneca and the Medical Research Council (UK) with Link Grant G9712367.

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