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Báo cáo khoa học: Hydrolysis of acetylthiocoline, o-nitroacetanilide and o-nitrotrifluoroacetanilide by fetal bovine serum acetylcholinesterase doc

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The homology in quaternary structure and folding of subunits in the prevalent BuChE species GH4 of human plasma and AChE forms of fetal bovine serum prompted us to study the esterase and

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o-nitrotrifluoroacetanilide by fetal bovine serum

acetylcholinesterase

Marı´a F Montenegro, Marı´a T Moral-Naranjo, Encarnacio´n Mun˜oz-Delgado, Francisco J Campoy and Cecilio J Vidal

Departamento de Bioquı´mica y Biologı´a Molecular-A, Universidad de Murcia, Spain

Although the best defined function of cholinesterases

(ChEs) is the cleavage of acetylcholine (ACh) in

syn-aptic and nonsynsyn-aptic locations, both

acetylcholines-terase (AChE; EC 3.1.1.7) and butyrylcholinesacetylcholines-terase

(BuChE; EC 3.1.1.8) possess the capacity to hydrolyze

o-nitroacetanilides by means of the so-called aryl

acylamidase (AAA) activity [1–3] Despite the lack of

information on the natural substrate and

physiologi-cal significance of the amidase activity of ChEs, its

variation during zebrafish embryogenesis [4] and brain development [5] and its possible involvement in Alzhei-mer’s disease [6] make the amidase activity a matter of interest

AChE and BuChE have 53% sequence homology, similar folding of subunits, and similar quaternary structures Both ChEs show a wide range of molecular forms, which arise from transcriptional, post-transcrip-tional and post-translapost-transcrip-tional changes [7,8] The AChE

Keywords

aryl acylamidase; chemical denaturation;

cholinesterases; kinetic parameters;

molecular forms

Correspondence

C J Vidal, Departamento de Bioquı´mica y

Biologı´a Molecular-A, Edificio de Veterinaria,

Universidad de Murcia, Apdo 4021,

E-30071 Espinardo, Murcia, Spain

Fax: +34 968 364147

Tel: +34 968 364774

E-mail: cevidal@um.es

(Received 12 November 2008, revised

27 January 2009, accepted 30 January

2009)

doi:10.1111/j.1742-4658.2009.06942.x

Besides esterase activity, acetylcholinesterase (AChE) and butyrylcholinest-erase (BuChE) hydrolyze o-nitroacetanilides through aryl acylamidase activity We have reported that BuChE tetramers and monomers of human blood plasma differ in o-nitroacetanilide (ONA) hydrolysis The homology

in quaternary structure and folding of subunits in the prevalent BuChE species (GH4) of human plasma and AChE forms of fetal bovine serum prompted us to study the esterase and amidase activities of fetal bovine serum AChE The kcat⁄ Kmvalues for acetylthiocholine (ATCh), ONA and its trifluoro derivative N-(2-nitrophenyl)-trifluoroacetamide (F-ONA) were 398· 106m)1Æmin)1, 0.8· 106m)1Æmin)1, and 17.5· 106m)1Æmin)1, respectively The lack of inhibition of amidase activity at high F-ONA con-centrations makes it unlikely that there is a role for the peripheral anionic site (PAS) in F-ONA degradation, but the inhibition of ATCh, ONA and F-ONA hydrolysis by the PAS ligand fasciculin-2 points to the transit of o-nitroacetalinides near the PAS on their way to the active site Sedimenta-tion analysis confirmed substrate hydrolysis by tetrameric 10.9S AChE As compared with esterase activity, amidase activity was less sensitive to guan-idine hydrochloride This reagent led to the formation of 9.3S tetramers with partially unfolded subunits Their capacity to hydrolyze ATCh and F-ONA revealed that, despite the conformational change, the active site architecture and functionality of AChE were partially retained

Abbreviations

AAA, aryl acylamidase activity; ACh, acetylcholine; AChE, acetylcholinesterase; ATCh, acetylthiocholine iodide; Brij 96, polyoxyethylene10 -oleyl ether; BuChE, butyrylcholinesterase; BuTCh, butyrylthiocholine; BW (BW284c51), 1,5-bis(4-allyldimethylammonium phenyl)-pentan-3-one dibromide; ChE, cholinesterase; Fas2, fasciculin-2; F-ONA, N-(2-nitrophenyl)-trifluoroacetamide; GPI, glycosyl phosphatidylinositol; Iso-OMPA, tetraisopropyl pyrophosphoramide; Nbs2,5,5¢-dithiobis(2-nitrobenzoic acid); ONA, o-nitroacetanilide; PAS, peripheral anionic site.

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gene produces several types of mature mRNA,

depend-ing on the choice of splice acceptor site in the 3¢-region

of the primary transcript Thus, the AChE-T (‘tailed’),

AChE-H (‘hydrophobic’) and AChE-R

(‘read-through’) mRNAs generate the three principal types of

AChE subunit, referred to as T, H, and R, which

dif-fer in their C-termini Also, AChE subunits can have

different N-terminal regions [9] Upon polymerization,

AChE subunits generate various molecular forms,

which can be classified as globular (G) and asymmetric

(A) forms The globular forms may exhibit hydrophilic

(GH) or amphiphilic (GA) properties, according to the

folding of the C-terminal domain in the monomers

(G1) and dimers (G2) composed of AChE-T subunits,

the absence or presence of the hydrophobic

proline-rich membrane anchor (PRiMA subunit) in the G4

species composed of AChE-T subunits, and the

addi-tion of glycosyl phosphatidylinositol (GPI) to the G1

and G2species consisting of AChE-H subunits [7]

Crystallographic techniques and site-directed

muta-genesis [10] have revealed a deep narrow gorge in

AChE that penetrates halfway into the protein and

contains the catalytic site at 4 A˚ from its base About

70% of the gorge is lined by 14 aromatic residues,

which are in the various subsites involved in ACh

accommodation These include Trp86, Tyr133, Tyr337

and Phe338 (numbers for human AChE) of the ‘anionic

subsite’, which contributes to the stabilization of the

quaternary ammonium function of the choline moiety,

and Trp236, Phe295 and Phe297 of the ‘acyl-binding

subsite’, which fits the acetyl group into a concave

hydrophobic pocket The structural elements involved

in the fitting of ACh in the Michaelis complex,

stabil-ization of the tetrahedral intermediate and hydrolysis

are Trp86 of the anionic binding site, the ‘oxyanion

hole’ (Gly121, Gly129, Ala204), which stabilizes the

negative charge created at the carbonyl oxygen atom of

ACh in the acetylation–deacetylation process, and the

catalytic triad (Ser203, Glu334, His447), where the Ser

hydroxyl group acts as the nucleophile against the

car-bonyl group of ACh, and the Glu-His pair is crucial

for activation of the nucleophile At the rim of the

gorge, Tyr72, Tyr124, Trp286 and Tyr341 form part of

the ‘peripheral anionic site’ (PAS), which can bind

ACh as well as fasciculin-2 (Fas2) and the second

qua-ternary ammonium of decamethonium

Crystallography data [11] have shown that BuChE

has a catalytic triad (Ser198, Glu325, His438) near the

bottom of a 20 A˚ gorge, which is lined by only eight

aromatic amino acid residues, an acyl-binding pocket

(including Trp231, Leu286, Phe329, and Val288), an

anionic subsite (Trp82 and Phe329), an oxyanion hole

(Gly116, Gly117, and Ala199), and a nonaromatic

guide (Asp70 and Tyr332), which pushes butyryl-thiocholine (BuTCh) down the active site gorge

We have previously reported that BuChEs of human colon, kidney and serum exhibit varying amidase⁄ esterase activity ratios [12] The same applies for BuChEs of chick, horse, and fetal bovine serum [13]

In liver pathologies, there is an important increase in amidase activity of human serum BuChE [14] The difference between BuChE monomers and tetra-mers in their capacity to hydrolyze o-nitroacetanilide (ONA) and its trifluoro derivative N-(2-nitrophenyl)-trifluoroacetamide (F-ONA) led us to attribute the varying amidase⁄ esterase activity ratios to the molec-ular polymorphism of BuChE and subtle structural differences in the subunits [12] AChE and BuChE subunits generate a similar range of oligomers by poly-merization The variable extents to which ONA and F-ONA are hydrolyzed by G1 and G4 BuChE species from human sources [12] prompted us to investigate the esterase and amidase activities of purified fetal bovine serum AChE For this purpose, catalytic effi-ciencies of AChE acting on esterase [acetylthiocholine (ATCh)] and amidase substrates (ONA and F-ONA) were determined In addition, hydrolysis of the sub-strates by different molecular forms of AChE was compared Finally, the spatial requirements of AChE subunits for expressing esterase and amidase activities were probed by their response to the protein denatur-ant guanidine hydrochloride

Results and Discussion

Kinetic parameters of amidase activity associated with AChE from fetal bovine serum

Affinity-purified AChE from fetal bovine serum expressed both amidase and esterase activities Both were inhibited to a similar extent by increasing concen-trations of 1,5-bis(4-allyldimethylammonium phenyl)-pentan-3-one dibromide (BW284c51; BW) and Fas2 (Fig 1) This feature, and the binding of esterase and amidase activities to antibodies (HR2) against AChE (Fig 1), ruled out any contribution of BuChE and possible contaminating esterases to the hydrolysis of F-ONA and ONA Hence, the results shown hereafter correspond exclusively to esterase and amidase activi-ties of AChE

The almost complete suppression of both amidase and esterase activities by the PAS inhibitor Fas-2 and the active site inhibitor BW (Fig 1) corroborates the involvement of the same active site in the hydrolysis

of esterase (ATCh) and amidase (ONA and F-ONA) substrates, a fact that has been established since

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Moore & Hess [15] demonstrated the equal effects of

pH on Km and kcat values for esterase and amidase

activities and their irreversible inhibition by an

organo-phosphate

Affinity-purified fetal bovine serum AChE was able to

hydrolyze 319 ± 12 nmol ONA per mg of protein per

minute (about 30 nmolÆmin)1ÆmL)1), provided that

amidase activity was assayed at 10 mm ONA The

activity was 20-fold that reported for purified AChE

from monkey brain [16] In this regard, it is worth

mentioning the proposal of the high level of AChE in

early brain development as the source for the abundant

amidase activity in mammalian fetal serum [5] In

addition, some authors have implicated amidase activity

in the formation of senile plaques through

embryonic-like AChE species identified in Alzheimer brain [6]

The catalytic parameters of AChE obtained by

tracing the esterase (ATCh) and amidase (F-ONA and

ONA) substrates are given in Table 1 The results show that fetal bovine serum AChE displays a lower

Km value with ATCh than with F-ONA and ONA, a trait also observed for BuChE [17] Although Km can-not be strictly considered to be a reliable measure of substrate affinity, the lower Km of AChE with ATCh than with o-nitroacetanilides probably reflects the obstacles encountered by amidase substrates in reach-ing and bindreach-ing to the active site, which are due in part to their nitro group (see later) The nearly 19-fold lower Km value for fetal bovine serum AChE with F-ONA than with ONA (Table 1) suggests that the three fluorine atoms improve accessibility and binding

of F-ONA to the acyl-binding site

The calculated Km value for fetal bovine serum AChE with ATCh as substrate (0.23 mm) is similar to those reported for AChE of bovine (0.22 mm) and human (0.28 mm) erythrocytes [18], and electric tissue

Fig 1 Esterase and amidase activities of purified fetal bovine serum AChE are due to AChE (A) Effect of AChE inhibitors on esterase and amidase activities of fetal bovine serum AChE Inhibition of esterase activity, assayed with 1 m M ATCh, and of amidase activity, measured with 10 m M ONA and 0.3 m M F-ONA, by BW and Fas2 (B) Binding of esterase and amidase activities to antibodies against AChE bound to protein G–agarose.

Table 1 Kinetic parameters for esterase and amidase activities of AChE purified from fetal bovine serum In the case of fetal bovine serum AChE, the content of catalytic sites in the reaction mixture was determined with echothiophate In assays with ATCh, the content of cata-lytic sites was 70 ± 10 n M , and in assays with F-ONA and ONA it was 1540 n M The much lower hydrolysis rate of nitroacetanilides than of ATCh makes it necessary to raise the amount of AChE in F-ONA and ONA assays for accurate determination of the extent of their hydroly-sis Figures represent mean values of triplicate determinations Constant values reported for cholinesterases from other sources are included for comparison.

This work

[26]

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of Electrophorus (0.23–0.32 mm) [19], but higher than

that for recombinant human AChE (0.1 mm) [20] The

differences in Kmof AChE according to animal species

and tissues could arise from changes in active site

structure, owing to amino acid sequence, quaternary

structure (G1, G2, G4), and post-translational changes,

such as glycosylation and incorporation of GPI

residues These factors could also explain the

species-specific differences in the responses of brain AChE to

organophosphorus insecticides [21] The difference

between dimeric GPI-anchored AChEs of bovine

erythrocytes and of lymphocytes in both Km and

extent of lectin binding [22] illustrates the impact of

oligoglycans on the kinetic behavior of AChE The

range of ATCh concentration, the ionic strength in the

assay and the kinetic model used for fitting

experimen-tal data may also contribute to the difference in Km

Regarding substrate inhibition, fetal bovine serum

AChE was inhibited by ATCh at above 2 mm, but

amidase activity was unaffected even at 5 mm F-ONA

(more than 10 times the concentrations used in

stan-dard assays; the poor solubility of F-ONA in water

prevented us from using larger concentrations) The

lack of inhibition of amidase activity at 5 mm F-ONA

makes it unlikely that there is a role for the PAS in

increasing the association rate constant This

conten-tion is supported by the absent or weak effects of the

PAS inhibitors propidium, gallamine and

decametho-nium on hydrolysis of ONA by electric eel AChE [23]

Nevertheless, the absence of a role for the PAS in

o-nitroacetanilide binding does not necessarily imply

an alternative route by which the catalytic pocket can

be reached In fact, the almost complete abolition of

ATCh, ONA and F-ONA hydrolysis in the presence of

Fas2 (Fig 1), a PAS-binding inhibitor [24],

demon-strates that o-nitroacetanilides transit near the PAS on

their way to the active site Thus, it seems that the

ste-ric blockade created by a large polypeptide such as

Fas2 at the PAS [25] would render AChE unable to

hydrolyze both esterase and amidase substrates

The values of kcat in Table 1 indicate that F-ONA

and ONA are degraded by fetal bovine serum AChE

at almost the same rate, which is much lower than the

rate for ATCh The comparable activity of AChE on

both amidase substrates contrasts with the much faster

hydrolysis of F-ONA than ONA by BuChE [12,17,26]

The calculated kcatvalue for fetal bovine serum AChE

with ATCh as the substrate (91 700 min)1) is much

lower than that for AChE of humans (400 000 min)1)

[20] and Electrophorus (350 500 min)1) [27] These kcat

values are all greater than for the hydrolysis of

F-ONA (14 200 min)1) and ONA (12 500 min)1)

(Table 1) The much lower kcat for AChE with aryl

acetamides than with ATCh could arise from the greater energy required for breaking amide than ester bonds Nevertheless, the greater kcat values for AChE (see above) than for BuChE on F-ONA and ONA (> 7500 min)1and > 13 min)1, respectively) [26] indi-cate that o-nitroacetanilides are hydrolyzed more rapidly by AChE The moderate difference in kcat val-ues for AChE and BuChE with F-ONA, as compared with the large difference with ONA, underlines the low catalytic rate of ONA hydrolysis by BuChE, and the need for the three fluorine atoms in F-ONA and their activating effect on the carbonyl group for increasing the rate of turnover by BuChE The faster hydrolysis

of F-ONA than of ONA by BuChE has been attri-buted to differences in the acetylation rate [26]

As regards the orientation of o-nitroacetanilides in the active site of ChEs, it has been suggested that they adopt a planar and rigid structure, because of their aromatic ring, amide bond, partial electron delocaliza-tion, and hydrogen bonding between NH and NO) [17,26] In addition, molecular modeling suggests that the rigid structure of ONA orients its NO2 group towards the oxyanion hole of BuChE [26] If this is true, its occupation by the NO2 group would presum-ably prevent binding and stabilization of the alkoxide ion of the tetrahedral transition state, and conse-quently would impair production of the acylated tran-sition state Although it is not known whether ONA and F-ONA adopt the same orientation in the BuChE active site, the lower activation energy (higher kcat⁄ Km) with F-ONA than with ONA may reflect the contribu-tion of the fluorine atoms in F-ONA to the stabiliza-tion of the alkoxide moiety and further acetylastabiliza-tion of BuChE As the oxyanion hole of BuChE is composed

of Gly116, Gly117, and Ala199, and the corresponding AChE hole is composed of Gly121, Gly122, and Ala204 [28], the faster hydrolysis of ONA by AChE would not arise from the amino acids in the hole, but possibly from improved accommodation and stabiliza-tion of the negative alkoxide intermediate in the AChE oxyanion site

It might be thought that the narrower active site in AChE than in BuChE would hamper ONA hydrolysis

by AChE Nevertheless, we feel that a smaller cavity could force the fitting and stabilization of ONA in the acyl-binding pocket, and by this means facilitate the production of the alkoxide group and its entry into the oxyanion hole The narrower space in AChE may allow enzyme–substrate contacts that have a positive effect on catalysis In contrast, a more loose interaction

of ONA with the larger acyl-binding pocket of BuChE may prevent the substrate from assuming the required conformation for producing the alkoxide group

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When kcat⁄ Kmis used as a measure of catalytic

effi-ciency, the results in Table 1 indicate that AChE

works 23 times more efficiently with ATCh than with

F-ONA, and about 500 times better than with ONA

The greater efficiency of AChE in acting on F-ONA

than on ONA confirms the profitable use of F-ONA

for assessing the amidase activity of AChE and BuChE

[12] AChE works approximately 22-fold more

effi-ciently with F-ONA than with ONA (compare kcat⁄ Km

for the two substrates in Table 1) and BuChE 570-fold

more efficiently [26] These data agree with previous

observations showing that the electron-withdrawing

action of the three fluorine atoms on F-ONA, which

are absent on ONA, lowers the energy barrier for

breakage of the CO–NH bond by ChEs [17,26] The

lower activation energy (570-fold higher kcat⁄ Km) for

F-ONA hydrolysis than for hydrolysis of ONA by

BuChE arises from the big jump in the turnover of

F-ONA (> 7500 min)1) as compared to that of ONA

(> 13 min)1) [26]

To summarize, the hydrolysis of ATCh, F-ONA and

ONA by AChE confirms its capacity for degrading

esterase and amidase substrates Nevertheless, the

higher catalytic efficiency with ATCh emphasizes

substrate preference and the main physiological role of

AChE

Expression of esterase and amidase activities by

AChE molecular forms

We have previously reported that F-ONA and ONA

are not hydrolyzed by BuChE tetramers of human gut,

so that dimers and monomers are solely responsible

for their hydrolysis [12] In the case of plasma, whereas

ONA was principally degraded by BuChE monomers

and to a much lower extent by tetrameric species, both

BuTCh and F-ONA were hydrolyzed by monomers

and tetramers [12] With these premises in mind,

sedi-mentation analysis was undertaken to test the behavior

of AChE forms in fetal bovine serum

Sedimentation profiles showed that the hydrophilic AChE tetramers (GH4) are the principal species in fetal bovine serum (Fig 2), in agreement with previous results [29] Assays of amidase activity showed that, in contrast to the BuChE tetramers of human gut and blood plasma [12], the tetramers of fetal bovine serum had the capacity to hydrolyze ONA and F-ONA (Fig 2) A shoulder at 8.6S (Fig 2) and a small peak

at 5.5S were occasionally observed in amidase activity profiles They probably correspond to proteolytically trimmed tetramers and dimers, which are hardly detected in esterase activity profiles If so, their obser-vation in assays with F-ONA and ONA suggested a higher amidase⁄ esterase activity ratio for G2 than for

G4 AChE, an idea in agreement with the results of Boopathy & Layer [5], who showed higher ONA-hydrolyzing capacity for G1and G2than for G4AChE from developing chicken brain

The capacity of GH4 AChE of fetal bovine serum to hydrolyze F-ONA and ONA, the ability of GH4 BuChE

of human plasma to degrade F-ONA but not ONA, and the inability of GH4 BuChE of human gut to degrade F-ONA and ONA, despite the structural homology between AChE and BuChE subunits, illus-trate how variable the hydrolysis of amidase subsillus-trates

by ChE tetramers can be The accessibility of the cata-lytic site to substrate would depend on the structure of the selected substrate, different amino acids in AChE and BuChE polypeptides, and subtle structural varia-tions between AChE (or BuChE) subunits according

to the homotetramer source (animal species, tissue, and biological fluid) Post-translational changes in ChE subunits, e.g those arising from oligoglycans, may affect peptide backbone fluctuations⁄ flexibility, and by this means hamper the ability of ONA and⁄ or F-ONA to enter the catalytic gorge, while the ability

Fig 2 Sedimentation patterns showing hydrolysis of esterase and amidase substrates by fetal bovine serum AChE Sucrose density fractions were collected and assayed with ATCh, ONA, and F-ONA Note the shoulder in the assays with amidase substrates and its absence in assays with ATCh.

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of ATCh to enter is maintained In addition, active site occlusion may arise from steric hindrance by a nearby subunit in tetramers composed of tightly packed subunits [30] We are currently investigating possible differences between human AChE monomers, dimers and tetramers in their capacity to hydrolyze esterase and amidase substrates

Effect of guanidine hydrochloride on esterase and amidase activities

In agreement with our previous data [29], a dramatic reduction of ATCh-hydrolyzing activity was observed when fetal bovine serum AChE was exposed to 2 m guanidine hydrochloride (Fig 3) As expected, the ami-dase activity was reduced to a similar extent Nevertheless, the remaining activity sufficed for testing whether esterase and amidase activities differed in sensitivity to higher guanidine hydrochloride concen-trations Above 2 m guanidine hydrochloride, the rate

of ATCh hydrolysis fell rapidly and that of F-ONA degradation fell gradually, which provided a peak in the amidase⁄ esterase activity ratio (Fig 3) As both activities reside in the same protein, we believe that the unequal amidase⁄ esterase activity ratio could arise from the conformational rearrangement at high guani-dine hydrochloride concentrations, so that the struc-tural change could generate molecules lacking esterase activity and retaining amidase activity or, alternatively, molecular forms with unequally impaired esterase and amidase activities

Fig 4 Sedimentation profiles showing the effect of guanidine hydrochloride on the molecular distribution of esterase and amidase activities

of fetal bovine serum AChE Samples incubated without and with 2.3 M guanidine hydrochloride were centrifuged on 5–20% sucrose gradi-ents containing 0.5 M guanidine hydrochloride and 0.5% Brij 96, formed on top of concentrated sucrose (40%) to prevent possible AChE aggregates from reaching the tube bottom Esterase activity was assayed with 1 m M ATCh (left graph) and amidase activity with 0.3 m M

F-ONA (right) Note the different scales used for control and guanidine hydrochloride-treated fetal bovine serum AChE (left axis and right axis, respectively) The results reveal the formation of 9.3S species at the expense of native 10.5S forms, and their expression of esterase and amidase activity.

Fig 3 Inactivation of esterase and amidase activities of fetal bovine

serum AChE exposed to guanidine hydrochloride Top: Change in

esterase and amidase activities with increasing concentrations of

guanidine hydrochloride Bottom: Difference in amidase ⁄ esterase

activity ratio.

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In our attempts to clarify this issue, kinetic

con-stants for AChE incubated with 2.2 m guanidine

hydrochloride were determined (Table 2) The change

in Km and kcat values with ATCh and F-ONA

indi-rectly indicated that the catalytic-competent molecules

had undergone a conformational rearrangement

Nevertheless, Km values revealed that the change in

substrate binding for guanidine hydrochloride-exposed

AChE (Table 2) in comparison with untreated enzyme

(Table 1) is stronger for ATCh than for F-ONA The

kcat⁄ Kmvalue for ATCh hydrolysis was reduced

3700-fold by guanidine hydrochloride treatment, whereas

that for F-ONA hydrolysis was reduced only 800-fold

This observation supported a more pronounced

lower-ing of catalytic efficiency for the former substrate

In addition, the ability of the denaturant guanidine

hydrochloride to convert AChE tetramers into dimers

[29] made it a useful tool with which to study the

rela-tionship between AAA activity and the quaternary

organization of AChE With this aim, samples were

incubated with 2.3 m guanidine hydrochloride and

later applied to sucrose gradients containing 0.5%

polyoxyethylene10-oleyl ether (Brij 96) Restoration of

native quaternary structure in AChE was prevented by

adding 0.5 m guanidine hydrochloride to the gradients

Sedimentation profiles of ATCh-degrading and

F-ONA-degrading activities gave a prevalent 9.3S peak

with a shoulder at about 10.5S (Fig 4) This indicated

that, although a few guanidine hydrochloride-resistant

AChE molecules remained in the native tetrameric

state (10.5S), the majority of the tetramers contained

partly unfolded subunits (9.3S) [29] Identification of

protein aggregates displaying AChE activity at the

tube bottom (Fig 4) supported exposure of

hydropho-bic domains in AChE, a feature exhibited by proteins

in a molten globule structure [29,31] Expression of

esterase and amidase activities by AChE tetramers

composed of partly unfolded subunits supported the

maintenance of both activities in these conditions, in

which the native conformation of the polypeptide is

severely disturbed It is probable that tight packing of

subunits in tetrameric AChE may restrict oscillations

of the polypeptide backbone, thus contributing

to a low level of activity under such strong denaturing conditions

Our results are consistent with previous observations suggesting that catalytic efficiency and inhibitor effects are due to global fluctuations of AChE domains [30,32], and varying conformational states of AChE subunits in tetrameric components [33,34] In our view,

a flexible subunit may also be required for maintaining catalytic ability after post-transcriptional linkage of the structural subunits proline-rich membrane anchor (PRiMA) and collagen-like tail subunit (ColQ) to tetramers

In summary, the results reported herein indicate that: (a) the use of F-ONA for measuring the AAA activity of ChEs is advisable; (b) as for BuChE, kinetic parameters show that AChE can degrade the amidase substrates F-ONA and ONA less efficiently than the esterase substrate ATCh; (c) the esterase and amidase activities of AChE tetramers consisting of partly unfolded subunits demonstrate the maintenance of catalytic ability in conditions that change protein structure; and (d) owing to the conformational plasti-city of AChE, the tetramers maintain catalytic com-petence even if the subunit structure differs from the preferred one

Experimental procedures

Materials

Fetal bovine serum, edrophonium chloride, epoxy-activated agarose, ATCh, 5,5¢-dithiobis(2-nitrobenzoic acid) (Nbs2), tetraisopropyl pyrophosphoramide (Iso-OMPA), BW, Brij

96, guanidine hydrochloride and protein markers for sedi-mentation analysis (beef liver catalase and beef intestine alkaline phosphatase) were all purchased from Sigma (St Louis, MO, USA) o-Nitroaniline and ONA were provided by Merck (Darmstadt, Germany) F-ONA was purchased from Princeton BioMolecular Research (USA), and Fas2 from Latoxan (Valence, France) Echothiophate iodide was donated by Levallois-Perret (France) Pro-tein G-agarose was provided by Boehringer Mannheim (Germany), and the monoclonal antibody HR2 against human brain AChE was provided by Affinity Bioreagents (Golden, CO, USA)

Purification of AChE and assay of esterase and amidase activities

AChE was affinity-purified from fetal bovine serum using

an edrophonium–Sepharose matrix [29] AChE activity was

Table 2 Kinetic parameters of AChE preincubated with 2.2 M

gua-nidine hydrochloride Prior to guagua-nidine hydrochloride incubation,

the concentration of active sites was lower in assays with ATCh

(approximately 1750 n M ) than in those with F-ONA (about

8250 n M ) After exposure to 2.2 M guanidine hydrochloride, the

concentrations of active sites fell to 87 n M and 412 n M ,

respec-tively.

Substrate Km(m M ) kcat(min)1) kcat⁄ K m ( M )1Æmin)1)

ATCh 1.51 ± 0.12 161 ± 12.8 107 ± 17.1 · 10 3

F-ONA 0.56 ± 0.10 12 ± 2.1 21 ± 7.4 · 10 3

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assayed by the Ellman method as described previously [35],

using 1 mm ATCh and 0.33 mm Nbs2 in 100 mm sodium

phosphate (pH 7.5) Purified fetal bovine serum AChE was

able to hydrolyze 574 ± 39.5 lmol of ATCh per mg

protein per min

Normal esterase and amidase (see below) assays – but

not those shown in Fig 1 – were performed both with and

without 10 lm BW, and in the presence of 100 lm

Iso-OMPA The values given correspond to esterase or amidase

activities inhibited by BW In the presence of BW, esterase

and amidase activities of purified fetal bovine serum AChE

were negligible Nevertheless, although the samples

contained no BuChE, assays included the BuChE inhibitor

Iso-OMPA in order to maintain our established assay

method, which has been used elsewhere for measuring

samples with AChE and BuChE activities

One milliunit (mU) of esterase activity is the amount of

enzyme that degrades one nmol of ATCh per min at room

temperature (20–25C) AChE activity in fractions

col-lected from sucrose gradients was determined by a

micro-titer assay [36,37], in which case the activity is also given in

milliunits, defined as above but taking into account the

volume of sample loaded onto the gradient [12]

Amidase activity was assayed using ONA and F-ONA

[12] In assays with ONA, sample (25–75 lL) and a variable

volume (50–0 lL) of 50 mm potassium phosphate (pH 7.0)

(to a final volume of 75 lL) were added to microwell

plates The reaction was started by adding 10 mm ONA

(150 lL of a 15 mm solution made in the above phosphate

buffer and 2% dimethylsulfoxide), and allowed to proceed

in an oven at 37C Dimethylsulfoxide was used for its

capacity to improve ONA solubility with no effect on

ester-ase or amidester-ase activities The releester-ase of o-nitroaniline was

recorded at 415⁄ 630 nm in a microplate reader (Model 680;

Bio-Rad, Hercules, CA, USA) every 15 min for 2–3 h, and

amidase activity was calculated by reference to a calibration

curve made with 1–200 lm o-nitroaniline

In assays with F-ONA, sample (10–20 lL), 10 lL of a

7.5 mm F-ONA solution made in acetonitrile and enough

50 mm potassium phosphate (pH 7.0) for a total volume of

250 lL were mixed The concentration of F-ONA in the

mixture was 0.3 mm, and the production of o-nitroaniline

was recorded at 25C AChE activity was unaffected by

the addition of acetonitrile Amidase activity is given in

nmol of ONA or F-ONA hydrolyzed per min (mU)

For kinetic measurements, the ATCh concentration

ran-ged from 0.02 to 10 mm, that of ONA from 1 to 12 mm,

and that of F-ONA from 0.05 to 5 mm Catalytic

parame-ters for ATCh hydrolysis were calculated on the

assump-tion of Michaelian behavior of AChE Thus, Kmand Vmax

were calculated by simple weighted nonlinear regression of

the Michaelis–Menten equation using the sigma plot

pro-gram Owing to the low solubility of ONA and F-ONA in

water, and the poor affinity of AChE for them, the

hydro-lysis kinetics were first order in substrate concentration

([S] < Km) Therefore, kinetic parameters were calculated

by fitting the data to the Lineweaver–Burk algorithm with

a linear regression program The concentration of active sites in purified fetal bovine serum AChE was determined with echothiophate iodide as tritrant [26], and the pro-tein content was determined with the Bradford reagent (Bio-Rad)

Absence of contaminating esterases from affinity-purified AChE

Because of their esterase activity, paraoxonase, carboxyles-terase and serum albumin hydrolyze ONA and F-ONA [38,39], and their presence would therefore lead to overesti-mations of AChE-derived and BuChE-derived amidase activity Unwanted esterases in samples can be detected by comparing the effects of AChE inhibitors on the hydrolysis

of ATCh and acetanilides Accordingly, the possible pres-ence of contaminating esterases in fetal bovine serum AChE was tested by examining the effects of BW and Fas2

on esterase and amidase activities Prior to analysis, samples were incubated for 15 min with 1 nm to 10 mm BW (final concentration) or with 2–500 nm Fas2 In addition, the direct relationship between esterase and amidase activities was veri-fied by assaying amidase activity in samples immunodepleted

of AChE With this aim, sample aliquots of fetal bovine serum AChE were incubated with varying amounts of HR2 antibody against AChE bound to protein G–agarose (up to

5 lL of antibody per 50 lL of protein G–agarose) We have previously reported that HR2 recognizes asymmetric, tetra-meric, dimeric and monomeric AChE of human lymph nodes [40] and gut [12,41] After incubation with HR2, agarose-bound proteins were removed, and samples devoid

of AChE were assayed for amidase activity As an excep-tion, these three types of assay were performed without Iso-OMPA The use of inhibitors and antibodies allowed us

to verify the complete absence of BuChE and unwanted esterases from affinity-purified AChE

Velocity sedimentation analysis

Molecular components of AChE were resolved by centri-fugation analysis and identified by their sedimentation coefficients Samples and sedimentation markers, catalase (11.4S20,w; Svedberg units) and alkaline phosphatase (6.1S), were centrifuged at 165 000 g (35 000 r.p.m.) for 20 h at 4C,

on 5-20% sucrose gradients made with 0.5% Brij 96 [35] Fractions were collected and assayed for sedimentation mark-ers, and AChE and amidase activities [12]

Incubation with guanidine hydrochloride

Possible differences in the susceptibility of ATCh-hydro-lyzing and F-ONA-hydroATCh-hydro-lyzing activities of AChE to the

Trang 9

denaturant guanidine hydrochloride were tested by sample

incubation with 0.05–3.0 m guanidine hydrochloride The

higher resistance of amidase than of esterase activity to

mild guanidine hydrochloride treatment, along with its

capacity for dissociating AChE subunits into tetramers [29],

led us to study the quaternary structure adopted by the

guanidine hydrochloride-resistant AChE molecules For

this, fetal bovine serum AChE was incubated with 2.3 m

guanidine hydrochloride and subjected to sedimentation

analysis Sucrose gradients contained 0.5 m guanidine

hydrochloride, 0.5% Brij 96, and 5–20% sucrose

Deposi-tion of AChE aggregates at the tube bottom was prevented

by placing a 0.5 mL cushion of 40% sucrose on the tube

before adding the sucrose gradient After centrifugation,

fractions were collected and assayed for esterase and

ami-dase activities, using ATCh and F-ONA as the substrates

Acknowledgements

This research was supported by the Fondo de

Investiga-cio´n Sanitaria of Spain (Grant PI04⁄ 1504) and the

Fundacio´n Se´neca of Murcia, Spain (Grant 00636⁄

PI⁄ 04) M F Montenegro is a holder of a scholarship

from the Fundacio´n Se´neca

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