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The importance of the c subunit in the catalytic cycle has been demonstrated previ-ously, showing that it is probably related to the sequential conformational changes in the ab pairs in

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stabilization and activity of chloroplast ATP synthase

Zhang-Lin Ni, Hui Dong and Jia-Mian Wei

Shanghai Institute of Plant Physiology, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai, China

ATP synthase occurs ubiquitously on

energy-transduc-ing membranes such as chloroplast thylakoid

mem-branes, mitochondrial inner memmem-branes, and bacterial

plasma membranes This enzyme catalyzes ATP

syn-thesis by a proton motive force across the membrane

formed by the respiratory chain or photosynthetic

elec-tron transport (ATPase in Escherichia coli recently

reviewed in [1,2], and ATP synthase in chloroplasts in

[3,4]) The general structural features of the enzyme

are highly conserved among different organisms The

enzyme in chloroplasts consists of two parts: CF0 and

CF1 CF0, a membrane-spanning complex, conducts

proton flux through the thylakoid membrane and

pro-vides affinity sites for the CF1 complex CF1, extrinsic

to the membrane, contains the nucleotide-binding and

catalytic sites, and can hydrolyze ATP at high rates

after appropriate treatment [4,5] The CF1 complex

consists of five types of subunit with the stoichiometry

a3b3cde

The first high-resolution X-ray structure of ATP synthase was of bovine mitochondrial F1 in 1994 [6] The structure is essentially unchanged in X-ray studies

of bovine F1 inhibited by N,N¢-dicyclohexylcarbodi-imide (Fig 1) [7] Nucleotide bound to all three cata-lytic sites in the aluminum fluoride-inhibited form of bovine F1 [8] The X-ray structures show that the a and b subunits alternate with each other to form a hexamer surrounding a central cavity, where a coiled-coil structure formed by the N-terminal and C-ter-minal helices of the c subunit penetrates The three catalytic sites of F1 are located on the b subunits, where the sites interface subunit a in three different conformational states The importance of the c subunit

in the catalytic cycle has been demonstrated previ-ously, showing that it is probably related to the sequential conformational changes in the ab pairs in addition to being responsible for the generation of a high-affinity nucleotide-binding site on the b subunits

Keywords

ATP synthase; chloroplast; glutathione

S-transferase pull-down assay; abc

assembly; c subunit

Correspondence

J.-M Wei, Shanghai Institute of Plant

Physiology, Shanghai Institutes for Biological

Sciences, Chinese Academy of Sciences,

300 Fenglin Road, Shanghai 200032, China

Fax: +86 21 54924015

Tel: +86 21 54924230

E-mail: wjm@iris.sipp.ac.cn

(Received 25 November 2004, revised 22

December 2004, accepted 17 January 2005)

doi:10.1111/j.1742-4658.2005.04570.x

Five truncation mutants of chloroplast ATP synthase c subunit from spin-ach (Spinacia oleracea) lacking 8, 12, 16, 20 or 60 N-terminal amino acids were generated by PCR by a mutagenesis method The recombinant c genes were overexpressed in Escherichia coli and assembled with ab sub-units into a native complex The wild-type (WT) abc assembly i.e abcWT exhibited high Mg2+-dependent and Ca2+-dependent ATP hydrolytic activity Deletions of eight residues of the c subunit N-terminus caused a decrease in rates of ATP hydrolysis to 30% of that of the abWT assembly Furthermore, only  6% of ATP hydrolytic activity was retained with the

sequential deletions of c subunit up to 20 residues compared with the activ-ity of the abWT assembly The inhibitory effect of the e subunit on ATP hydrolysis of these abc assemblies varied to a large extent These observa-tions indicate that the N-terminus of the c subunit is very important, together with other regions of the c subunit, in stabilization of the enzyme complex or during cooperative catalysis In addition, the in vitro binding assay showed that the c subunit N-terminus is not a crucial region in bind-ing of the e subunit

Abbreviations

CF 0 , the hydrophobic portion of chloroplast ATP synthase; CF 1 , coupling factor one; GST, glutathione S-transferase; WT, wild-type.

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by its rotation within the a3b3 core [1–4,6–8] In F1,

rotation of the c subunit coupled with ATP hydrolysis

was confirmed by its direct observation in the

move-ment of a fluorescence-labeled actin filamove-ment, which

was attached to the c subunit of the thermophilic

bac-terial F1 subcomplex, a3b3c [9], e subunit F1 [10,11]

and CF1[12]

The catalytic core of the enzyme is a3b3c, despite ab

exhibiting lower rates of ATP hydrolysis [13] It is

generally accepted that ATP synthase generates

coup-ling between cooperative catalysis and proton

translo-cation during hydrolysis⁄ synthesis processes However,

the precise catalytic mechanism of F1-ATPase is still

unknown [1,14] With respect to CF1, it is also

pro-posed that isolated CF1 operates through a full 360

rotation, like other F1-ATPases [12]. CF1 is unique in

that thiol modulation, the structural basis of which is

an insert of about 20 amino acids including a

regula-tory disulfide bond, is reversibly oxidized and reduced

The N-terminus and C-terminus of c subunits from

dif-ferent organisms are highly conserved [15] Deletion of

the 20 amino acids in the C-terminus of the c subunit

resulted in an active chloroplast enzyme [16] Crystal

structures (Fig 1) reveal that the N-terminal domain

of the c subunit makes contact with the bE

sub-unit C-terminal domain containing the conserved

DELSEED motif, which is thought to be important

for energy-coupling rotation of the c subunit by steric

interaction This indicates the possible importance in

the c N-terminal domain during catalytic cooperativity [4,7,8] cSer8 substitution with a Cys residue resulted

in it being cross-linked with a different b region in the presence of Mg2+-ADP or Mg2+-ATP [17] cMet23 substitution caused ATPase uncoupling [18], which was suppressed by amino-acid replacements between

269 and 280 in the C-terminal domain [19] It has been demonstrated by fluorescence mapping [20] and cross-linking [21] that the e subunit is in close proximity to the c subunit The e subunit interacts directly with the

c subunit [22–24], but does so with a higher affinity when the c subunit is assembled with the a3b3 core [25, 26] The hybrid enzyme from the a,b subunits of a thermophilic bacterium and the mutant CF1 c subunit (D194–230) was insensitive to added e subunit [25] Studies by Gao et al [26], who developed an in vitro reconstitution system by assembling the ab complex with an isolated c subunit, showed that this complex was able to obtain the reconstituted core enzyme com-plex as effectively as the native a3b3c Recently, a hybrid

F1-ATPase from Rhodospirillum rubrum or chloroplast subunits was used to study the mechanism of photosyn-thetic F1-ATPase [27,28] In the present study, we exam-ined the importance of the CF1 N-terminus of the

c subunit during hydrolytic turnover using this reconsti-tution system and the binding of e to c through a gluta-thione S-transferase (GST) pull-down assay To do this,

we selectively deleted 8, 12, 16, 20 or 60 residues from the N-terminus of the c subunit The reconstituted abc assemblies were tested for ATP hydrolytic activity The results show that the c subunit’s N-terminus is very important for stabilization of the enzyme complex

Results

Overexpression and assembly of the c truncated mutants

All the plasmids listed in Table 1 were transformed into the expression strain E coli BL21 (DE3)⁄ pLysS The spinach chloroplast atpC gene constructed in the pET11b expression vector had a high expression level

in E coli More than 100 mg recombinant c protein was obtained per litre of culture medium Overexpres-sion of the cloned polypeptides in E coli resulted in the accumulation of insoluble inclusion bodies The inclusion bodies were solubilized in 4 m urea and recovered by slow dialysis as described previously [16] Like the wild-type and native c subunits [16], all the c mutants tended to aggregate during dialysis when pro-tein concentration was high On SDS⁄ PAGE, wild-type c protein and the truncated polypeptides migrated for distances consistent with the extent of truncation

Fig 1 Schematic representation of the bovine heart mitochondria

F 1 produced from pdb file 1e79 using DEEPVIEW [37] Subunit a is on

the left, and subunit b is on the right The N-terminal 20 residues

of subunit c are depicted in gray.

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(Fig 2A) Each of the c constructs reacted with c

anti-serum on immunoblots (data not shown) The

trun-cated polypeptides were designated cDN8 to cDN60

according to the number of amino-acid residues

dele-ted from the c subunit N-terminus The N-terminus

amino-acid sequence of c subunit from chloroplasts is

shown in Table 1

ATP hydrolytic activity of the mutant assemblies

We tested ATP hydrolytic activity of the reconstituted

assemblies Incubation of the native c protein from

chloroplasts with isolated ab subunits (Fig 2B)

resul-ted in their assembly into a stable, highly active abc

complex under optimal conditions The cloned c

poly-peptide was identical with the native c subunit in its

ability to form a fully active core enzyme complex

[16,26] Mg2+-ATPase activity was measured in the

presence of sodium sulfite, a strong stimulator of ATP

hydrolysis [16] The relative rates of ATP hydrolysis

of these reconstituted assemblies in the presence of

either Ca2+ or Mg2+ as the bivalent cation substrate

were compared (Fig 3) The wild-type assembly

exhibited the maximum activity [14.4 lmol PiÆ(mg

pro-tein))1Æmin)1), consistent with previous results showing that assembling the cloned c polypeptide with the iso-lated ab subunits resulted in a fully active core enzyme complex [26], although there were some differences among the hydrolytic rates Deletion of eight residues from the c subunit N-terminus impaired the ATP hydrolytic ability, despite differences between Mg2+ -ATPase and Ca2+-ATPase The deletion of 12 residues resulted in a greater decrease in Ca2+-ATPase activity About 6% of ATP hydrolytic activity retained on dele-tion of 20 residues When 60 residues were deleted, the rate of ATP hydrolysis of the reconstituted assembly was similar to the ab complex containing no c subunit

Interaction of subunits c and e in vitro GST pull-down assays were used to detect c–e interac-tion The full-length cDNA encoding the e subunit was fused to the C-terminus of the GST gene in the expres-sion plasmid, and the GST-fuexpres-sion protein was over-expressed in E coli As shown in Fig 4, GST alone did not bind to the wild-type c subunit (cWT); in trast, GST–e was able to bind directly to all the c con-structs It was also able to bind to the cDN8, cDN12

Table 1 Amino-acid and primer sequences of truncated mutants Listed below are the amino-acid sequences and PCR primers of truncation mutants (D) of the c subunit of spinach chloroplast ATP synthase The numbers in the plasmids indicate the numbers of residues deleted fol-lowed by N designating N-terminus truncation, respectively The truncations begin with deletion of eight residues with successive deletion

of four residues up to 20 residues from the N-terminus, and N-terminal mutants with deletion of 60 residues (cDN60).

Plasmid Amino-acid sequences Forward primers (5¢-3¢) Reverse primers (5¢-3¢) pET11-cWT ANLRELRDRIGSVKNTQKITEAMKLVAAAK-31 TTTGTCATATGGCAAACCTCCGTGAGC

pET11-cDN8 …8RIGSVKNTQKITEAMKLVAAAK-31 GGCCATATGCGGATCGGATCAGTCAAA ATTCCGGAC pET11-cDN12 …12VKNTQKITEAMKLVAAAK-31 TCGGCCATATGGTCAAAAACACGCAGAAG ACGGATCCA pET11-cDN16 …16QKITEAMKLVAAAK-31 TTGGCCATATGCAGAAGATCACCGAAGCA ATTAATCTC pET11-cDN20 …20 EAMKLVAAAK-31 TCCGGCATATGGAAGCAATGAAGCTCGTC

Fig 2 Gel electrophoresis profiles of

prepa-rations of inclusion bodies and the purified

ab complex Preparations were analyzed by

SDS ⁄ PAGE on 15% polyacrylamide gels,

and the proteins were stained with

Coomas-sie Brilliant Blue R250 Each lane contained

6 lg protein (A) Lane 1, CF1; lanes 2–7,

inclusion body preparations of cWT, DcN8,

DcN12, DcN16, DcN20 and DcN60,

respect-ively (B) Lane 1, CF1(–de); lane 2, isolated

ab complex.

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and cDN16 molecules with similar affinity to cWT.

Deletion of 20 residues resulted in slight impairment of

the binding activity

Inhibitory effects of the e subunit Given that the N-terminal deletions of the c subunit barely inhibited the interaction between c and e, fur-ther studies were performed to confirm the responses

of the mutant assemblies to the inhibitory e subunit The inhibitory responses of the Ca2+-ATPase activity

of the different mutant assemblies were examined after the addition of the e subunit (Fig 5) The abcWT assembly that exhibited the highest Ca2+-ATPase activity was inhibited by 84% The inhibitory effects

of the e subunits on hydrolytic rates in the mutant (cDN8, cDN12, cDN16 and cDN20) assemblies varied greatly, ranging from 35% to 63% reduction in hydro-lysis

Discussion

The studies presented here focused on the importance

of the N-terminus of the c subunit during ATP hydro-lysis in addition to examining the role of binding and inhibition of the e subunit A schematic representation

of bovine heart mitochondria F1 is shown in Fig 1 The conserved N-terminal region of the c subunit forms an antiparallel left-handed coiled coil with the C-terminal part, which penetrates into a cavity formed

by the a3b3 hexamer. The c subunit’s N-terminus makes contact with the C-terminal domain of the bE subunit, which contains the conserved DELSEED motif [7,8] It is generally accepted that the c subunit confers the asymmetric properties of the catalytic sites

by interacting with the a and b subunits, resulting in catalytic cooperativity The permanent asymmetry of

Fig 3 Relative ATPase activity of reconstituted abc assemblies.

Mg 2+ -ATPase (black columns) and Ca 2+ -ATPase (gray columns)

activities were analyzed as described in Experimental procedures.

The ATPase activities [lmol P i Æ(mg protein))1Æmin)1] of the cWT

assembly (100%) were: Mg 2+ -ATPase, 13.8; Ca 2+ -ATPase, 14.4.

The activities of both the ab complex and the abDcN60 assemble

were about 0.3.

Fig 4 Interactions of wild-type c and the engineered c with e

in vitro GST pull-down assays were performed as described in

Experimental procedures GST or GST–e fusion proteins were

bound to glutathione–Sepharose 4B beads 6 lg of each of the c

construct proteins were incubated with 20 lL of the beads bound

to GST–e After extensive washing, proteins eluted from the beads

were subjected to Western-blot analysis with c antiserum GST

alone was used as a negative control by incubating 20 lL of the

beads bound to GST with 6 lg of the wild-type c recombinant.

Fig 5 Inhibition of the Ca 2+ -ATPase of the reconstituted abc assemblies by addition of e subunit Ca 2+ -ATPase activities were analyzed as described in Experimental procedures Assemblies were incubated with the e subunit at the molar ratio 10e:1ab The inset shows the Ca 2+ -ATPase activities [lmol PiÆ(mg pro-tein))1Æmin)1] in the absence of e subunit, which are set as 100%.

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isolated CF1 was found in labeling experiments with

Lucifer Yellow [29], which possibly indicated that the

N-terminal part of subunit c remains in contact with

the aE and bE subunits during the complete catalytic

turnover without a full 360 rotation [4] However,

direct observation of the movement of subunit c in

iso-lated CF1 was also determined recently to resemble

that of E coli F1 or thermophilic bacterial F1

subcom-plex, thereby favoring multisite catalysis with a full

360 rotation

The data presented here reveal that deletion of 60

residues eliminated almost all hydrolytic activity of

the reconstituted assembly; moreover, the removal of

eight residues abolished most of the activity When

up to 20 residues were deleted, very low ATP

hydro-lytic activity was retained (Fig 3) There are two

possible explanations for the above results (a) The

deletions impaired the stability of the reconstituted

assemblies and the efficient assembly of the ab

com-plex with recombinant c constructs; or (b) the

struc-tural change in the truncated c construct altered the

asymmetry conformation of a3b3c, thereby affecting

transmission of conformational signals between

cata-lytic sites, which resulted in impaired normal catacata-lytic

cooperativity These observations indicate that the

N-terminal part of subunit c is indispensable and

functions with other regions of c during stabilization

of the abc complex and rotational catalysis

Consis-tent with previous studies, we also found that Ca2+

-dependent and Mg2+-dependent ATP hydrolytic

activities were different, indicating different catalytic

mechanisms [28]

It is well established that the e subunit, a regulatory

protein of ATPase, binds to c directly and rotates with

the c and c (homologous to CF0-III in chloroplasts)

subunits as a part of a rotor (cec10) [1,2] The

inter-action of c and e increases when c penetrates into a

a3b3hexamer [26] The e subunit binds to CF1 with an

apparent dissociation constant of < 10)10m [20] In

the e subunit, the sites of c interaction with e were

mapped to between R49 and R70, and the C-terminal

part beyond K199 [24] The regulatory c regions of

CF1 seem to be very important for e subunit binding

[30] Our results also show that the e subunit stably

binds to c, which is consistent with earlier studies

[23–25] Deletion of 20 residues from the N-terminal

region did not markedly decrease the binding affinity

between the c and e subunits in vitro (Fig 4)

The engineered c subunit bound to the e subunit

with almost identical affinity, although the inhibitory

effects of e subunit varied with the number of

resi-dues removed The high binding affinity of a3b3c for

the e subunit is essential for inhibition of ATPase

catalysis, which is much higher than that of binding

e to individual c [26] The truncation seemed not to change the binding affinity between c and e (Fig 5), but the altered asymmetrical conformation of a3b3c resulting from deletions in c is enough to decrease the binding of e to a3b3c Meanwhile, impaired cata-lytic cooperativity may not be efficiently inhibited

by the e subunit Both of the above may partially explain the varied inhibitory effect of e on ATP hydrolysis

Taken together, we have shown that the N-terminal region of the c subunit is important for stabilization of

a3b3c or cooperative catalysis of isolated CF1. The N-terminal region of subunit c in CF1 is not crucial for binding of subunit e in vitro Further studies are needed to determine candidate residues participating in transmission of conformation signals and efficient energy coupling of the c subunit N-terminus

Experimental procedures

Materials Restriction endonucleases, T4 DNA ligase, Klenow frag-ment, and Pfu and Taq DNA polymerase were purchased from Takara (Dalian, China) and Promega (Shanghai, China) Sephadex G-50 was purchased from Pharmacia (Uppsala, Sweden) DEAE-cellulose was obtained from Whatmann (Uppsala, Sweden) and hydroxyapatite from Bio-Rad (Hercules, CA, USA) Other reagents were all standard AR grade

Generation of c truncation mutants and GST-fusion protein

Plasmid pJLA503-pchlc, a gift from S Engelbrecht (Uni-versity of Osnabruck, Germany), contains the atpC genes encoding the ATP synthase c subunit [31] The wild-type c fragment was PCR amplified from pJLA503-pchlc, and five truncation mutants were PCR generated with the mutagen-esis primers (Table 1) The PCR products were digested with NdeI and BamHI, and subsequently subcloned into the pET11b expression vector The resulting plasmids were confirmed by DNA sequencing For construction of the GST–e fusion protein, full-length cDNA encoding the

e subunit was amplified by PCR using pJLA-eWT [23] as

a template with the following primers: 5¢-GACGGATCC CCATGACCTTAAATCTTTGT-3¢ as the 5¢ primer and 5¢-ATAGTCGACCTGGTTACGAAGAAATCG-3¢ as the 3¢ primer The PCR products were cleaved with BamHI and EcoRI, and cloned into plasmid pGEX-5X-1 (Amer-sham-Pharmacia Biotech, Shanghai, China) The resulting plasmid pGEX-5X-e was confirmed to be inframe with the GST cassette by DNA sequencing

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Solubilization and folding of overexpressed

c mutants and GST-fusion protein

The resulting pET11b plasmids containing the atpC gene

were transformed into the expression strain E coli

BL21(DE3)⁄ pLysS The resulting E coli cells were grown

at 37C in Luria–Bertani medium containing l-ampicillin

Cells were induced with 0.4 mm isopropyl

thio-b-d-galacto-side in mid-exponential phase, incubated for 7 h, and

har-vested as described previously [32] Solubilization and

folding of the insoluble c polypeptide were performed

according as described previously [16] Overexpression and

collection of GST or GST–e fusion protein in E coli were

carried out as previously described [23]

Preparation and reconstitution of an ab complex

and c mutants

An ab complex was isolated from CF1(– de) as described

previously [26] Reconstitution of the complex and

c mutants was carried out as described previously [26] The

incubated mixture was assayed directly for ATP hydrolytic

activity

In vitro binding assays of e with c subunit and

immunoblotting analysis

Equal amounts of GST or GST–e fusion proteins were

bound to glutathione–Sepharose 4B beads in binding buffer

[50 mm Tris⁄ HCl, 100 mm NaCl, 1 mm EDTA, 1% (v ⁄ v)

Triton X-100, 1 mm phenylmethanesulfonyl fluoride and

10% (v⁄ v) glycerol, pH 8.0] at 4 C for 2 h The bound

glutathione–Sepharose 4B beads were washed three times

with binding buffer to remove unbound fusion proteins

These beads were incubated with equal amounts of the

c constructs for 4 h at 4C in binding buffer and washed

four times with binding buffer to remove unbound proteins

Subsequently, the beads were suspended in 2· SDS loading

buffer and boiled for 3 min Proteins released from the

beads were analyzed by SDS⁄ PAGE (15% polyacrylamide

gel) [23], transferred to nitrocellulose membrane, and

detec-ted by western immunoblot analysis using an ECL Western

Blotting Detection System (Amersham) and c antiserum

CF1and CF1(–de) preparation and measurement

of ATPase activity

CF1and CF1(–d) were prepared from fresh market spinach

as described previously [33,34] Before use, the proteins

were desalted on Sephadex G-50 centrifuge columns [35]

ATPase activities were determined by measuring phosphate

release for 5–10 min at 37C The assay was performed

in 1 mL volumes of assay mixture containing 50 mm

Tricine⁄ NaOH, pH 8.0, and 5 mm ATP Ca2+-ATPase was

carried out in the presence of 5 mm CaCl2, and Mg2+ -ATPase in the presence of 2 mm MgCl2 and 20 mm

Na2SO3.The reaction was stopped by adding 200 lL 20% trichloroacetic acid c Antiserum was raised by subcuta-neous injections into rabbits Inclusion bodies containing recombinant c polypeptide were subjected to SDS⁄ PAGE Proteins were recovered from Coomassie Brilliant Blue R250-stained gel bands and used for the immunization of rabbits Protein concentration was measured by the method

of Bradford [36]

Acknowledgements

This work was supported by the National Natural Sci-ence Foundation of China (30170078) and State Key Basic Research and Development Plan (G1998010100)

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