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The presence of phosphate at a catalytic site suppressesNoriyo Mitome, Sakurako Ono, Toshiharu Suzuki, Katsuya Shimabukuro, Eiro Muneyuki and Masasuke Yoshida Chemical Resources Laborato

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The presence of phosphate at a catalytic site suppresses

Noriyo Mitome, Sakurako Ono, Toshiharu Suzuki, Katsuya Shimabukuro, Eiro Muneyuki

and Masasuke Yoshida

Chemical Resources Laboratory, Tokyo Institute of Technology, Japan

F1-ATPase is inactivated by entrapment of MgADP in

catalytic sites and reactivated by MgATP or Pi Here, using a

mutant a3b3c complex of thermophilic F1-ATPase

(aW463F/bY341W) and monitoring nucleotide binding by

¯uorescence quenching of an introduced tryptophan, we

found that Pi interfered with the binding of MgATP to

F1-ATPase, but binding of MgADP was interfered with to a

lesser extent Hydrolysis of MgATP by F1-ATPase during

the experiments did not obscure the interpretation because

another mutant, which was able to bind nucleotide but not

hydrolyse ATP (aW463F/bE190Q/bY341W), also gave the same results The half-maximal concentrations of Pi that suppressed the MgADP-inhibited form and interfered with MgATP binding were both  20 mM It is likely that the presence of Piat a catalytic site shifts the equilibrium from the MgADP-inhibited form to the enzyme±MgADP±Pi complex, an active intermediate in the catalytic cycle Keywords: competition; FoF1-ATP synthase; MgADP inhibition; nucleotide binding; tryptophan ¯uorescence

FoF1-ATP synthase synthesizes ATP from ADP and

inorganic phosphate (Pi) by using the energy of proton

¯ow driven by a transmembrane electrochemical proton

gradient [1±3] The enzyme consists of a cytoplasmic

domain, referred to as F1-ATPase or F1, which carries

catalytic sites for the synthesis and hydrolysis of ATP, and a

membrane integral domain, Fo, which conducts protons

across the membrane F1has a subunit composition a3b3cde

and can be reversibly separated from Fo There are six

nucleotide-binding sites in F1-ATPase, three of which are

catalytic sites, located on the b subunits, and three other

noncatalytic sites, located on the a subunits In the crystal

structure of bovine mitochondrial F1-ATPase, the three a

and three b subunits are arranged alternately like segments

of an orange around the central coiled-coil structure of the

c subunit [4]

During ATP hydrolysis, FoF1-ATP synthase tends to

entrap MgADP, resulting in the generation of the so-called

MgADP-inhibited form [5±9] It has been shown that

MgADP inhibition is induced by occupation of a single

catalytic site by MgADP [10] During catalysis,

simulta-neous occupation of two catalytic sites promotes the onset

of this inhibition [11] The crystal structure of mitochondrial

F1-ATPase obtained in the presence of ADP, AMPPNP,

and NaN3 in 1994 [4] probably represents this

MgADP-inhibited form The MgADP-MgADP-inhibited form is activated by

ATP binding to the noncatalytic sites [12±15] An apparent

Kd for the activation process was deduced to be 430 lM using nucleotide-depleted mitochondrial F1-ATPase [14] Previously, we have reported that the mutant a3b3c subcomplex (DNC), which is defective in the noncatalytic nucleotide-binding site, is unable to continue ATP hydro-lysis because all the subcomplexes remain in the MgADP-inhibited form [16] However, the ATPase-inactive DNC

FoF1-ATP synthase catalysed continuous turnover of ATP synthesis [17] To explain this, it was proposed that the MgADP-inhibited form was not generated in the ATP synthesis reaction Furthermore the DNC a3b3c subcomplex was activated by Piand showed continuous ATP hydrolysis activity in the presence of Pi [18] Pi also activated the MgADP-inhibited form of the wild-type a3b3c subcomplex [18,19], F1[5,9] and FoF1-ATPase [11, 20, 21] in a similar manner These studies suggested that Pibound to catalytic site(s) and suppressed formation of the MgADP-inhibited form

In this study, we tried to elucidate the mechanism by which Piprevents the formation of the MgADP-inhibited form and the relationship between Pi binding and nucleotide binding at catalytic sites For this purpose,

we used the a(W463F)3b(Y341W)3c mutant subcomplex in which a Tyr residue near the catalytic site (Y341) was replaced by Trp to monitor nucleotide binding to the catalytic sites In addition, aW463 was replaced by Phe

to reduce the background ¯uorescence The ¯uorescence decrease of the introduced tryptophans near the catalytic sites re¯ects nucleotide binding to catalytic sites [22±24]

It was found that the presence of Pi at a catalytic site prevents the formation of the MgADP-inhibited form even if MgADP is still bound at that catalytic site The results suggest a mechanism of reactivation of the MgADP-inhibited form by Pi, in which Pi at a catalytic site shifts the equilibrium from the MgADP-inhibited form to an enzyme±MgADP±Pi complex, which is an active intermediate in the catalytic cycle

Correspondence to E Muneyuki, Chemical Resources Laboratory,

Tokyo Institute of Technology, Nagatsuta 4259, Yokohama 226-8503,

Japan Fax: + 81 45 924 5277, Tel.: + 81 45 924 5232,

E-mail: emuneyuk@res.titech.ac.jp

Enzymes: F o F 1 -ATPase (EC 3.6.6.14); pyruvate kinase (EC 2.7.1.40);

lactate dehydrogenase (EC 1.1.1.27).

(Received 23 July 2001, revised 25 September 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

Strains, plasmids, and proteins

Escherichia coli strain JM109 was used [25] for preparation

of the plasmids pKABG1-aW463F was prepared as

previously described [26] The mutation of bY341W was

introduced into pTABG1 as previously described [23] The

MulI±SmaI fragment of pTABG1, which contained the

bY341W mutation, was ligated into the corresponding site

of pKABG1-aW463F to produce the aW463F/bY341W

mutant The MluI±BstPI fragment of pUCb-E190Q [27],

which contained the bE190Q mutation, was ligated into the

corresponding site of pKABG1-aW463F/bY341W to

pro-duce pKABG1-aW463F/bE190Q/bY341W

The subcomplexes were expressed and puri®ed as

described previously [26] Before use, the enzymes, which

were stored as ammonium sulfate suspensions, were puri®ed

on a Superdex 200 gel-®ltration column (Pharmacia

Bio-tech) with 100 mM potassium phosphate buffer (pH 7.0)

containing 1 mM EDTA The puri®ed fraction was

adsorbed on a Butyl-Toyopearl column (Tosoh), which

was equilibrated with 100 mM sodium phosphate buffer

(pH 7.0) containing 50 mM Mops/KOH, 50 mM KCl,

1 mMEDTA, and 20% saturated ammonium sulfate The

column was washed with the same buffer to deplete it of

nucleotide, and the enzyme was eluted with 50 mMMops/

KOH buffer (pH 7.0) containing 1 mMEDTA The eluted

enzyme was passed through a gel-®ltration column PD10

(Pharmacia Biotech) pre-equilibrated with 50 mM Mops/

KOH buffer (pH 7.0) containing 50 mM KCl and 2 mM

MgCl2 and used for the following experiments The

preparation contained less than 0.05 mol adenine nucleotide

per mol enzyme

The ATPase activity of the enzyme preparation at 4 mM

MgATP depended on the KCl concentration in the assay

mixture At 50 mM KCl, the activity was 12±13 Uámg)1,

whereas at 160 mMKCl, it was  30±40 Uámg)1, which are

in the normal range for thermophilic F1-ATPase activity

ATP hydrolysis assay

ATP hydrolysis was measured using an ATP-regenerating

system as a decrease in A340of NADH at 25 °C The assay

mixture contained 50 mM Mops/KOH buffer (pH 7.0),

50 mM KCl, 2.5 mM phosphoenolpyruvate, 4 mM ATP,

6 mMMgCl2, 200 lgámL)1pyruvate kinase, 200 lgámL)1

lactate dehydrogenase, and 0.2 mMNADH The

spectro-photometer (V-550; Jasco) was equipped with a stirring

device for rapid mixing After a 5-min incubation at 25 °C, a

baseline was monitored for 1 min The reaction was started

by the addition of a3b3c to 1.2 mL of the assay mixture One

unit (U) of activity is de®ned as the activity of 1 lmol ATP

hydrolysedámin)1 The ATPase activities at the initial phase

(the slope of A340between 3 and 13 s) were measured

Fluorescence measurements

Fluorescence was measured with a spectro¯uorometer

(F4500; Hitachi) at 25 °C After nucleotide depletion,

a3b3c was diluted to 100 nMin a cuvette to a total volume

of 1.2 mL in 50 mMMops/KOH (pH 7.0) buffer containing

50 mM KCl and 2 mM MgCl2 The excitation wavelength

was 295 nm and the emission wavelength was 345 nm The slit for excitation was set at 5 nm and the slit for emission at

10 nm The time-course measurements were performed by injecting concentrated MgATP or MgADP solution into the assay mixture to the indicated concentrations while stirring For titration curves, the ¯uorescence intensities were recorded for 3 min after the addition of MgATP solutions Calculation of total Mg2+concentrations

At a high Piconcentration, it is possible that free Mg2+and MgADP concentrations decrease because of complex formation between Pi and Mg2+ It has previously been shown that the activating effects of EDTA and Pion the MgADP-inhibited enzyme are additive, indicating that activation by Pioccurs via a mechanism other than simply reducing the Mg2+concentration [28] However, in order to exclude the possibility of reducing MgADP at high concentrations of Pi, we adjusted the total Mg2+ concen-tration for each Pi concentration in the relevant experi-ments The concentration of each ionic species was calculated as described by Clark et al [29]

R E S U L T S ATPase activity of the a(W463F)3b(Y341W)3c subcomplex after incubation with MgADP

The a(W463F)3b(Y341W)3c subcomplex was preincubated with MgADP at various molar ratios for 10 min The residual ATPase activities at the initial phase were measured by injecting the mixture into the ATPase assay system As shown in Fig 1A,B (®lled circles), the extent of inhibition was almost 100% when the ratio of MgADP to the

a(W463F)3b(Y341W)3c subcomplex reached 1.5 : 1 It has previously been reported that the DNC a3b3c subcomplex was inhibited by MgADP at a 1 : 1 molar ratio [16] In a similar experiment, wild-type a3b3c complex was inhibited

by MgADP at a ratio of 1 : 1.5 (E Muneyuki, unpublished results) Here we conclude that the a(W463F)3b(Y341W)3c subcomplex assumes the MgADP-inhibited form in the same manner as the wild-type a3b3c complex

Effect of Pion the MgADP-inhibited form

We have previously reported that the DNC a3b3c subcom-plex did not exhibit steady-state ATP hydrolysis in the absence of Pi[16], but signi®cant steady-state ATP hydro-lysis was later observed in the presence of Pi[18] Here we examined the effects of Pion the formation of the MgADP-inhibited form of the a(W463F)3b(Y341W)3c subcomplex The extent of ADP inhibition of the a(W463F)3b(Y341W)3c sub-complex after 5 min preincubation with stoichiometric concentrations of MgADP plus various concentrations of potassium phosphate was measured Increasing concentra-tions of Piprevented the formation of the MgADP-inhibited form of the a(W463F)3b(Y341W)3c subcomplex (Fig 2A) The

Pi concentration that yielded half-maximal prevention of inhibition was 21 ‹ 6.4 mM(mean ‹ SEM; Fig 2B), and the extrapolated maximum rate was 69 ‹ 6.0% of the uninhibited rate, i.e the rate in the absence of ADP KCl (100 mM) in the preincubation medium had no protective effect against MgADP inhibition When the Pi

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tion was kept at 20 mM and the ratio of MgADP to the

subunit complex in the preincubation mixture was changed,

the extent of inhibition by MgADP also decreased

(Fig 1B) From these results, we conclude that Piprevented

MgADP inhibition under these conditions This is

consis-tent with the previous report that inactivation of F1-ATPase

as a result of the MgADP inhibition could be partially

prevented by Pi [18] The above results indicate that the

a(W463F)3b(Y341W)3c subcomplex has the same properties

for MgADP inhibition and Pi activation as the wild-type

complex, allowing us to investigate the effect of Pi on

MgADP inhibition

Effect of Pion MgADP binding to catalytic sites

Formation of the MgADP-inhibited form is caused by

entrapment of inhibitory MgADP in a catalytic site [5±9]

After prior loading of a catalytic site of MF1[14,30], TF1 [31], and chloroplast F1-ATPase [32] with MgADP, the enzymes hydrolyse ATP with an extended lag phase The protective effect of Pi against ADP inhibition described above may be explained by interference of MgADP binding

by Pi The decrease in the extent of MgADP inhibition, however, does not necessarily mean that ADP does not bind

to the enzyme To clarify this point, MgADP binding to the catalytic sites in the presence of Pi was monitored

by ¯uorescence quenching of the introduced tryptophan

Fig 1 Inhibition of ATPase activity of the a (W463F)3 b (Y341W)3 c

sub-complex by prior incubation with MgADP (A) Time course of ATP

hydrolysis The a (W463F)3 b (Y341W)3 c complex (0.4 l M ) was

preincu-bated at 25 °C for 10 min in the presence of various concentrations of

MgADP Then, 40 lL of the solutions was withdrawn and injected

into 1.2 mL of an ATP assay mixture containing 4 m M ATP The

molar ratio of MgADP to the subcomplex during the preincubation is

shown beside the traces (B) Residual ATPase activity (d) Without P i ;

(j) in the presence of 20 m M potassium phosphate To keep MgADP

concentration constant, MgCl 2 concentrations in the preincubation

mixture were adjusted to be 2 m M and 6 m M in the absence and

presence of P i , respectively The residual ATPase activities at the initial

phase (the slope of A 340 between 3 and 13 s) were plotted against the

molar ratio of MgADP to the subcomplex The speci®c ATPase

activity of enzyme without MgADP, which was set at 100%, was

12.3 Uámg )1 in the absence of potassium phosphate (d) and

29.3 Uámg )1 in the presence of 20 m M potassium phosphate (j).

Fig 2 Prevention of the formation of the MgADP-inhibited form by phosphate (A) Time course of ATP hydrolysis The a (W463F)3 b (Y341W)3 c subcomplex (0.4 l M ) was preincubated at 25 °C for 5 min in the presence of various concentrations of potassium phosphate The P i

concentrations are indicated on the right Then, MgADP (1.2 l M ®nal concentratioin) was added to the preincubation mixture and incubated for a further 5 min Total Mg 2+ concentrations added as MgCl 2 in the preincubation mixture were adjusted to 3.0, 3.5, 4.5, 6.5, 10, and

16 m M for 0, 2.5, 10, 25, 50 and 100 m M potassium phosphate to keep the MgADP concentration constant After the preincubation, 40 lL of the solutions was injected into 1.2 mL of the ATPase assay mixture containing 4 m M ATP The lowest line is a control experiment without ADP or potassium phosphate (B) Dependence of the relative ATP hydrolysis activity of the a (W463F)3 b (Y341W)3 c subcomplex on preloaded potassium phosphate concentration The residual ATPase activities during the initial phase (the slope of A 340 between 3 and 13 s) were measured after preincubation with 1.2 l M MgADP and potassium phosphate as in (A) Relative ATPase activities were calculated by normalizing ATPase activities without preloaded MgADP at each potassium phosphate concentration to 100% The solid line was drawn

by ®tting the equation (a + b[P i ])/(K d + [P i ]) to the data points Here, a is the residual ATPase activity at 1.2 l M ADP in the absence of

P i , and b is the maximum activity regained in the presence of P i K d is the apparent dissociation constant for P i , which was deduced to be

21 m M

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residues On addition of saturating amounts of nucleotide

(1 mMMgADP or 1 mMMgATP), the ¯uorescence of the

three introduced tryptophans was completely quenched

Figure 3A shows the time course of the ¯uorescence

change on addition of MgADP In the experiments, the

concentrations of the a(W463F)3b(Y341W)3c subcomplex and MgADP were 100 nM and 300 nM, respectively Contrary

to our expectation, the presence of Pihad little effect on the binding of ADP to the catalytic sites Quenching was essentially complete within 20 s Actually, the rate of the MgADP binding was slightly slower at higher Pi concen-trations; however, the magnitude of ¯uorescence quenching was affected little (Fig 3C) in the Piconcentration range in which the protective effect of Piwas most prominent These results suggest that Piprevents MgADP inhibition, although MgADP remains bound to the catalytic sites

Effect of Pion MgATP binding to catalytic sites Previously, we suggested that Piacts at a catalytic site to prevent ADP inhibition [18] However, given that, Pidid not interfere with ADP binding at any of the catalytic sites, there are two possible explanations of our results One is that Pi binds to a catalytic site, but the position is at the c phosphate

of ATP, and does not interfere with ADP binding The other

is that Pibinds to a site other than any of the catalytic sites

In the ®rst case, it is possible that Pibinding interferes in ATP binding, because of the c phosphate To con®rm this possibility, MgATP binding to the catalytic sites was monitored by ¯uorescence quenching of the introduced tryptophan residues in the presence of Pi The time course of the ¯uorescence quenching on addition of MgATP in the presence of various concentrations of Piis shown in Fig 3B Although the ®nal magnitude of the ¯uorescence quenching

by the addition of MgATP did not signi®cantly depend on the Piconcentration (Fig 3C), ATP binding to the catalytic sites was generally slower at higher Pi concentrations However, the result was somewhat ambiguous, possibly because of the hydrolysis of ATP to ADP during the experiment To clarify this point, the a(W463F)3b(E190Q/ Y341W)3c subcomplex, which was able to bind MgATP but unable to hydrolyse MgATP [27], was used In the case of the E coli F1-ATPase, a mutant equivalent to a3b(E190Q/ Y341W)3c displayed a nucleotide-binding pattern that was similar to that of the a3b(Y341W)3c subcomplex [24] Figure 4B demonstrates the time course of ATP binding

to the a(W463F)3b(E190Q/Y341W)3c complex in the presence of

Pi Compared with Fig 3B, Fig 4B indicates more clearly that ATP bound to the catalytic sites more slowly at higher

Piconcentrations Two time constants were estimated by

®tting a double-exponential function to the data and plotted against Piconcentration (Fig 4C) The time resolution of our experimental system was, however, not good enough for the fast phase and we did not attempt to analyze it On the other hand, the slow time constant of MgATP binding was clearly longer at higher Pi concentrations The apparent af®nity of Piwas estimated to be 19 ‹ 3.6 mMby ®tting a simple Michaelis±Menten equation to the data for the slow time constant This value was similar to the Kdof 21 mM measured for suppression of MgADP inhibition (Fig 2B)

On the other hand, the presence of Pihad little in¯uence on the binding of ADP to the catalytic sites (Fig 4A,D) Again,

Pihad little effect on the time constant or magnitude of

¯uorescence quenching by MgADP binding in the Pi concentration range where the effect of Pi was most prominent for the a(W463F)3b(Y341W)3c complex From these results, we conclude that Piis bound at a catalytic site of the

a(W463F)3b(Y341W)3c subcomplex where it competes with

Fig 3 E€ect of P i on ADP binding to the a (W463F)3 b (Y341W)3 c

sub-complex (A) Time course of MgADP binding to the a (W463F)3

b (Y341W)3 c subcomplex The reaction mixture contained 50 m M Mops/

KOH (pH 7.0), 50 m M KCl, 100 n M a (W463F)3 b (Y341W)3 c, and the

indicated concentrations of potassium phosphate and MgCl 2 MgCl 2

concentrations were adjusted as in Fig 2 MgADP (300 n M ) was

added at time zero (B) Time courses of the ¯uorescence quenching on

addition of MgATP The experimental procedure is the same as in (A),

except that MgATP was added instead of MgADP (C) The amplitude

of ¯uorescence quenching upon addition of MgATP (d) and MgADP

(j) plotted against P i concentration The amplitudes were read from

(A) and (B).

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MgATP Close coincidence of the apparent af®nity of Pi

that interferes with ATP binding (19 mM) and the apparent

af®nity that prevents formation of the MgADP-inhibited

form (21 mM) suggests that the Pithat prevents MgADP

inhibition is located in a catalytic site even though it does not

signi®cantly affect ADP binding to that catalytic site

Titration of MgATP binding

to the a(W463F)3b(E190Q/Y341W)3c complex

Figure 5A shows MgATP binding to the a(W463F)3b(E190Q/

Y341W)3c complex in the presence or absence of 10 mM

phosphate As shown in Fig 5A,B, MgATP binding was

fast in the absence of phosphate, but slow in the presence of

10 mM phosphate at appropriate MgATP concentrations

At 200 nM MgATP, the binding was slowest When

MgATP was lower or higher than 200 nM, the MgATP

binding was fast (Fig 5A,C) At 1 lM, the rate of MgATP

binding in the presence of Piwas faster than at 300 nM This

increase in the rate of ATP binding may simply be due to the

high concentration of ATP When MgATP concentration

was lower than 100 nM, the rate of MgATP binding was

dif®cult to estimate because the ¯uorescence intensity

change was small Nevertheless, it seems that MgATP

binding is most affected by Piunder bi-site conditions where

MgATP binds to the second catalytic site of the enzyme

The above results suggest that Piinhibits ATPase activity,

particularly at low ATP concentrations We then compared

the initial ATPase activity of the a(W463F)3b(Y341W)3c

com-plex in the presence and absence of 20 mM Pi Although

there was not a precise agreement with the data in Fig 5C,

which was obtained using the a(W463F)3b(E190Q/Y341W)3c

complex, the ATPase activity was indeed 29, 48, and 13% inhibited at 0.3, 1, and 10 lMATP in the presence of Pi At

100 lMATP, there was no apparent inhibition by Pi

D I S C U S S I O N

Pi suppresses formation of the MgADP-inhibited form There may be several explanations The simplest is that Pi binds to a catalytic site, and inhibitory ADP is ejected from

it The second is that Piand ADP bind simultaneously to the catalytic site and the enzyme is kept active The third possibility is that Pibinds to noncatalytic sites (or any other site) while ADP binds to the catalytic site The fourth possibility is that Pibinds to the noncatalytic sites (or any other site) and inhibitory ADP is ejected from the catalytic sites The last possibility is reminiscent of the situation in which ATP binding to the noncatalytic sites activates F1 from the MgADP-inhibited form [12±15] Two important points are whether ADP remains bound to the catalytic sites when Pi is added to activate the ADP-inhibited enzyme, and the location of Pibinding When Piwas added

to the assay mixture, however, the effect of Piin relieving MgADP inhibition was not clear This may be because Piin the assay mixture simultaneously acts as competitive inhibitor of ATP hydrolysis and suppresser of MgADP inhibition In the case of EF1, Piwas shown to inhibit uni-site and bi-uni-site ATP hydrolysis [33] Therefore, we mainly examined the effect of Pion MgADP inhibition by adding

Pito the preincubation mixture with ADP and observing the resultant ATPase activity and ¯uorescence quenching From our results, we conclude that the presence of Piat a catalytic site interferes with the formation of the

MgADP-Fig 4 Time-course of MgATP/MgADP binding to the a (W463F)3 b (E190Q/Y341W)3 c subcomplex (A, B) Time course of MgADP (A)/MgATP (B) binding to the a (W463F)3 b (E190Q/Y341W)3 c subcomplex in the presence of P i The reaction mixture contained 50 m M Mops/KOH (pH 7.0), 50 m M

KCl, 100 n M a (W463F)3 b (E190Q/Y341W)3 c, and the indicated concentrations of potassium phosphate and MgCl 2 MgCl 2 concentrations were adjusted

as in Fig 2 MgADP or MgATP (300 n M ) was added at 0 s (C) Dependence of the time constant of the MgATP binding (s) to the a (W463F)3 b (E190Q/ Y341W)3 c subcomplex on P i concentration The time constants were estimated by ®tting a double-exponential function to the time course (j) Fast time constants; (h) slow time constants The solid line was drawn by ®tting the equation a[P i ]/(K d + [P i ]) to the data points Here, a is the maximum time constant in the presence of P i , and K d is the apparent dissociation constant for P i , which was deduced to be 19 m M (D) The amplitude of ¯uorescence quenching on addition of MgATP (d) and MgADP (j) plotted against P i concentration.

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inhibited form even while MgADP is still bound at that

catalytic site

It is known that a number of anions exert various

complex effects on F1-ATPase [34±37] Potentially, some of

these effects are the result of anion binding to sites other

than the catalytic nucleotide-binding sites However, in the

present case in which Piprevents MgADP inhibition, it is

highly likely that the presence of Pi at a catalytic site

suppresses the formation of the MgADP-inhibited state

The recently reported crystal structure of mitochondrial F1

-ATPase with nucleotide bound to all three catalytic sites

shows that sulfate, which is an analog of phosphate, indeed

binds near the c phosphate position of ATP at a catalytic site [38] As previously proposed [18], the presence of Piat a catalytic site may shift the equilibrium from the MgADP-inhibited form to the enzyme±MgADP±Picomplex, which is

an active intermediate in the catalytic cycle Maximum protection from ADP inhibition by Pi was only 69% (Fig 2B), suggesting that there may be other inactive enzyme±MgADP±Picomplexes, and, even in the presence of excess Pi, the equilibrium cannot be shifted completely to the active complex In the case of membrane-bound ATP synthase, membrane energization can convert the inactive form of the enzyme into the active form [39] A combination

of Pi and membrane energization may fully protect the enzyme from ADP inhibition under phosphorylating con-ditions The apparent Kd of Pi that interferes with ATP binding (19 mM), or that which prevents formation of the MgADP-inhibited form (21 mM), was somewhat higher than the apparent Kmfor ATP synthesis by thermophilic

FoF1-ATPase reconstituted into proteoliposomes (6±9 mM) [17] This discrepancy may re¯ect the difference in the experimental conditions, or the membrane potential may cause some increase in the af®nity for Pi

In previous studies, using the ¯uorescence quenching of genetically introduced tryptophans, competition of MgATP binding to the catalytic sites [40] or noncatalytic sites [41] with Pi was not observed Our result differs from the previous data, but this apparent discrepancy is probably due

to differences in the experimental conditions For example, using 0.1 lM a(W463F)3b(Y341W)3c and 0.3 lMMgATP, the

®nal ¯uorescence level induced by MgATP binding was not signi®cantly in¯uenced by the presence or absence of Pi (Fig 3B,C) Only a Pi-dependent change in the rate of MgATP binding was detected (Fig 3B) Unfortunately, the result was somewhat unclear, probably because of hydro-lysis of MgATP during the experiment, therefore we used the a(W463F)3b(E190Q/Y341W)3c complex, which is unable to hydrolyse ATP The ®nal ¯uorescence level quenched by MgATP binding in this case was also almost independent of

Pi (Fig 4B,D) The retardation of ATP binding in the presence of Piwas clearly exhibited (Figs 4B,C) and it was found that this retardation was observed over a limited ATP concentration range (0.1 lM< [ATP] < 1 lM, Fig 5A,C) The inhibition of ATPase activity at low ATP concentration by 20 mMPiis qualitatively consistent with the retarded ATP binding Below 0.1 lM ATP, the low signal to noise ratio in the ¯uorescence measurement does not allow a ®rm conclusion, but it seems that ATP binding

to the ®rst catalytic site (uni-site) is not signi®cantly affected

by the presence of Pi In the concentration range in which retardation of ATP binding by Pi was observed, ATP binding to the second catalytic site (bi-site) occurred It is tempting to conclude that Pi competes with ATP at the second catalytic site It may imply that the ®rst site favors ATP binding whereas the second site favors Pi binding Preferred binding of substrate or product at catalytic sites in different conformations has been suggested by Boyer [42]

At higher ATP concentrations, the effect of Pion the ATP-binding rate was not observed At high ATP concentrations, however, ATP binding is inherently fast, and the apparent absence of the effect of Pion the ATP binding rate may be due to the limited time resolution of our experimental system Measurements with high time resolution will provide more detailed information on nucleotide binding

Fig 5 Fluorescence titration of the catalytic sites of the

a (W463F)3 b (E190Q/Y341W)3 c mutant with MgATP with and without

phosphate (A) Time course of MgATP binding in the presence of

10 m M phosphate The indicated concentrations of MgATP were

added at 0 s (B) Time course of MgATP binding in the absence of P i

MgATP was added as in (A) at 0 s (C) Dependence of the time

constant of MgATP binding to the a (W463F)3 b (E190Q/Y341W)3 c

sub-complex on MgATP concentrations in the presence of P i The time

constants were estimated by ®tting a double-exponential function to

the time course of MgATP binding (d) Fast time constants; (j) slow

time constants.

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

We thank Drs T Hisabori, H Noji, D Bald, Y Kato-Yamada,

T Masaike and Y Hirono-Hara for helpful discussion We also thank

Dr J Hardy for critical reading of the manuscript.

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