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2H12

Structure of Acetobacter aceti citrate synthase complexed with oxaloacetate and carboxymethyldethia coenzyme A (CMX)

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
A0004108molecular_functioncitrate (Si)-synthase activity
A0005737cellular_componentcytoplasm
A0006099biological_processtricarboxylic acid cycle
A0016740molecular_functiontransferase activity
A0036440molecular_functioncitrate synthase activity
A0046912molecular_functionacyltransferase activity, acyl groups converted into alkyl on transfer
B0003824molecular_functioncatalytic activity
B0004108molecular_functioncitrate (Si)-synthase activity
B0005737cellular_componentcytoplasm
B0006099biological_processtricarboxylic acid cycle
B0016740molecular_functiontransferase activity
B0036440molecular_functioncitrate synthase activity
B0046912molecular_functionacyltransferase activity, acyl groups converted into alkyl on transfer
C0003824molecular_functioncatalytic activity
C0004108molecular_functioncitrate (Si)-synthase activity
C0005737cellular_componentcytoplasm
C0006099biological_processtricarboxylic acid cycle
C0016740molecular_functiontransferase activity
C0036440molecular_functioncitrate synthase activity
C0046912molecular_functionacyltransferase activity, acyl groups converted into alkyl on transfer
D0003824molecular_functioncatalytic activity
D0004108molecular_functioncitrate (Si)-synthase activity
D0005737cellular_componentcytoplasm
D0006099biological_processtricarboxylic acid cycle
D0016740molecular_functiontransferase activity
D0036440molecular_functioncitrate synthase activity
D0046912molecular_functionacyltransferase activity, acyl groups converted into alkyl on transfer
E0003824molecular_functioncatalytic activity
E0004108molecular_functioncitrate (Si)-synthase activity
E0005737cellular_componentcytoplasm
E0006099biological_processtricarboxylic acid cycle
E0016740molecular_functiontransferase activity
E0036440molecular_functioncitrate synthase activity
E0046912molecular_functionacyltransferase activity, acyl groups converted into alkyl on transfer
F0003824molecular_functioncatalytic activity
F0004108molecular_functioncitrate (Si)-synthase activity
F0005737cellular_componentcytoplasm
F0006099biological_processtricarboxylic acid cycle
F0016740molecular_functiontransferase activity
F0036440molecular_functioncitrate synthase activity
F0046912molecular_functionacyltransferase activity, acyl groups converted into alkyl on transfer
Functional Information from PDB Data
site_idAC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE OAA A 5007
ChainResidue
AHIS237
BARG417
AASN240
AHIS272
AHIS313
AARG322
AARG396
ACMX5001
AHOH5086
AHOH5104

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE OAA B 5008
ChainResidue
AARG417
BHIS237
BASN240
BHIS272
BHIS313
BARG322
BPHE392
BARG396
BCMX5002
BHOH5055
BHOH5083

site_idAC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE OAA C 5009
ChainResidue
CHIS237
CASN240
CHIS272
CHIS313
CARG322
CPHE392
CARG396
CCMX5003
CHOH5057
CHOH5114
DARG417

site_idAC4
Number of Residues11
DetailsBINDING SITE FOR RESIDUE OAA D 5010
ChainResidue
CARG417
DHIS237
DASN240
DHIS272
DHIS313
DARG322
DPHE392
DARG396
DCMX5004
DHOH5077
DHOH5079

site_idAC5
Number of Residues11
DetailsBINDING SITE FOR RESIDUE OAA E 5011
ChainResidue
EHIS237
EASN240
EHIS272
EHIS313
EARG322
EPHE392
EARG396
ECMX5005
EHOH5075
EHOH5104
FARG417

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE OAA F 5012
ChainResidue
EARG417
FHIS237
FASN240
FHIS272
FHIS313
FARG322
FARG396
FCMX5006
FHOH5072
FHOH5082

site_idAC7
Number of Residues10
DetailsBINDING SITE FOR RESIDUE SO4 B 5013
ChainResidue
AARG419
BPRO33
BILE67
BGLY69
BASP70
BHOH5131
BHOH5162
BHOH5370
BHOH5404
BHOH5461

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 5014
ChainResidue
AHIS118
ATYR153
AARG171
ALYS175
AHOH5171
AHOH5487

site_idAC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 A 5015
ChainResidue
APRO33
AGLY69
AASP70
AHOH5118
AHOH5123
AHOH5254
AHOH5391
AHOH5510
BARG419

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 5016
ChainResidue
BHIS118
BTYR153
BARG171
BLYS175
BHOH5101
BHOH5239
BHOH5445

site_idBC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE SO4 B 5017
ChainResidue
BLEU433
BARG436
BHOH5140
BHOH5197
BHOH5305
BHOH5443
BHOH5502
AHOH5415
BTYR430
BPRO432

site_idBC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 D 5018
ChainResidue
CARG419
DPRO33
DILE67
DGLY69
DASP70
DHOH5100
DHOH5112
DHOH5331
DHOH5428

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 C 5019
ChainResidue
CHIS118
CTYR153
CARG171
CLYS175
CHOH5136
CHOH5213
CHOH5539

site_idBC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 C 5020
ChainResidue
CPRO33
CGLY69
CASP70
CHOH5071
CHOH5177
CHOH5358
DARG419

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 D 5021
ChainResidue
DHIS118
DTYR153
DARG171
DLYS175
DHOH5167

site_idBC7
Number of Residues11
DetailsBINDING SITE FOR RESIDUE SO4 F 5022
ChainResidue
EARG419
FPRO33
FILE67
FASP68
FGLY69
FASP70
FHOH5089
FHOH5116
FHOH5288
FHOH5330
FHOH5373

site_idBC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 E 5023
ChainResidue
EHIS118
ETYR153
EARG171
ELYS175
EHOH5124
EHOH5215
EHOH5409
EHOH5552

site_idBC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 E 5024
ChainResidue
ETYR430
EPRO432
ELEU433
EARG436
EHOH5248
EHOH5353
FHOH5228

site_idCC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE SO4 E 5025
ChainResidue
EPRO33
EILE67
EASP68
EGLY69
EASP70
EHOH5065
EHOH5127
EHOH5300
EHOH5365
FARG419

site_idCC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 F 5026
ChainResidue
FHIS118
FTYR153
FARG171
FLYS175
FHOH5189
FHOH5209
FHOH5423
FHOH5465

site_idCC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 C 5027
ChainResidue
CTYR430
CPRO432
CLEU433
CARG436
CHOH5493
DGLY19
DGLU92
DHOH5246
DHOH5391

site_idCC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 D 5028
ChainResidue
CHOH5227
CHOH5337
DTYR430
DPRO432
DLEU433
DARG436
DHOH5249

site_idCC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 5029
ChainResidue
ATHR114
AASN117
AHIS118
AHOH5531

site_idCC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 5030
ChainResidue
BTHR114
BASN117
BHIS118
BHOH5371
BHOH5527
BHOH5585

site_idCC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 C 5031
ChainResidue
CTHR114
CASN117
CHIS118
CHOH5368

site_idCC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 D 5032
ChainResidue
DTHR114
DASN117
DHIS118
DHOH5381

site_idCC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 E 5033
ChainResidue
ETHR114
EASN117
EHIS118
EHOH5288
EHOH5522

site_idDC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 F 5034
ChainResidue
FTHR114
FASN117
FHIS118
FHOH5425
FHOH5522

site_idDC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 5035
ChainResidue
ATHR110
AASN113
AHOH5277

site_idDC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 5036
ChainResidue
BTHR110
BASN113
BHOH5157
BHOH5174
BHOH5465

site_idDC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 E 5037
ChainResidue
ETHR110
EASN113
EHOH5185

site_idDC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 F 5038
ChainResidue
FTHR110
FASN113
FHOH5190
FHOH5521

site_idDC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 5039
ChainResidue
BASP155
BLEU167
BARG171
BHOH5403
BHOH5516

site_idDC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 5040
ChainResidue
ALEU167
AARG171
AHOH5362

site_idDC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 C 5041
ChainResidue
CASP155
CARG171
CHOH5208
CHOH5532

site_idDC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 D 5042
ChainResidue
DLEU167
DARG171
DHOH5416

site_idEC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 E 5043
ChainResidue
EASP155
EARG171
EHOH5266
EHOH5414

site_idEC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 F 5044
ChainResidue
FARG171
FHOH5349
FHOH5455

site_idEC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 5045
ChainResidue
BGLN427
BHOH5209
BHOH5365
BHOH5478
BHOH5575

site_idEC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 C 5046
ChainResidue
CPRO221
CARG225

site_idEC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 5047
ChainResidue
ALYS20
APRO221
AARG225

site_idEC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B 5048
ChainResidue
BARG225
BHOH5601

site_idEC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 D 5049
ChainResidue
DPRO221
DARG225

site_idEC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 E 5050
ChainResidue
EPRO221
EARG225
EHOH5537

site_idEC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 F 5051
ChainResidue
FPRO221
FARG225
FHOH5514

site_idFC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 5052
ChainResidue
AARG133
AHOH5569
DASP135

site_idFC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 5053
ChainResidue
BARG133
BHOH5381
EASP135

site_idFC3
Number of Residues27
DetailsBINDING SITE FOR RESIDUE CMX A 5001
ChainResidue
AALA271
AHIS272
AALA275
AVAL299
ALYS307
ALEU308
AGLY310
APHE311
AGLY312
AHIS313
AARG314
ATYR360
AARG364
ALEU366
AASN369
AASP371
APHE392
AOAA5007
AHOH5057
AHOH5108
AHOH5215
AHOH5314
AHOH5405
AHOH5474
AHOH5486
AHOH5502
BARG414

site_idFC4
Number of Residues27
DetailsBINDING SITE FOR RESIDUE CMX B 5002
ChainResidue
AARG414
BALA271
BHIS272
BALA275
BVAL299
BLYS307
BLEU308
BGLY310
BPHE311
BGLY312
BHIS313
BARG314
BTYR360
BARG364
BLEU366
BASN369
BASP371
BPHE392
BOAA5008
BHOH5078
BHOH5082
BHOH5181
BHOH5380
BHOH5388
BHOH5406
BHOH5491
BHOH5586

site_idFC5
Number of Residues28
DetailsBINDING SITE FOR RESIDUE CMX C 5003
ChainResidue
CALA271
CHIS272
CALA275
CVAL299
CLYS307
CLEU308
CGLY310
CPHE311
CGLY312
CHIS313
CARG314
CTYR360
CARG364
CLEU366
CASN369
CASP371
CPHE392
COAA5009
CHOH5054
CHOH5098
CHOH5159
CHOH5351
CHOH5398
CHOH5440
CHOH5463
CHOH5554
CHOH5562
DARG414

site_idFC6
Number of Residues24
DetailsBINDING SITE FOR RESIDUE CMX D 5004
ChainResidue
CARG414
DALA271
DHIS272
DALA275
DVAL299
DLYS307
DLEU308
DGLY310
DPHE311
DGLY312
DARG314
DTYR360
DARG364
DLEU366
DASN369
DASP371
DPHE392
DOAA5010
DHOH5076
DHOH5088
DHOH5099
DHOH5313
DHOH5406
DHOH5419

site_idFC7
Number of Residues23
DetailsBINDING SITE FOR RESIDUE CMX E 5005
ChainResidue
EALA271
EHIS272
EALA275
EVAL299
ELEU308
EGLY310
EPHE311
EGLY312
EHIS313
EARG314
ETYR360
EARG364
ELEU366
EASN369
EASP371
EPHE392
EOAA5011
EHOH5055
EHOH5102
EHOH5137
EHOH5403
EHOH5554
FARG414

site_idFC8
Number of Residues26
DetailsBINDING SITE FOR RESIDUE CMX F 5006
ChainResidue
EARG414
FALA271
FHIS272
FALA275
FVAL299
FLYS307
FLEU308
FGLY310
FPHE311
FGLY312
FHIS313
FARG314
FTYR360
FARG364
FLEU366
FASN369
FASP371
FPHE392
FOAA5012
FHOH5067
FHOH5090
FHOH5152
FHOH5441
FHOH5458
FHOH5467
FHOH5529

Functional Information from PROSITE/UniProt
site_idPS00480
Number of Residues13
DetailsCITRATE_SYNTHASE Citrate synthase signature. GFGHrVy.KnfDPR
ChainResidueDetails
AGLY310-ARG322

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues12
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10117
ChainResidueDetails
AHIS313
EASP371
FHIS313
FASP371
AASP371
BHIS313
BASP371
CHIS313
CASP371
DHIS313
DASP371
EHIS313

Catalytic Information from CSA
site_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1aj8
ChainResidueDetails
AHIS272
AHIS313
AASP371

site_idCSA10
Number of Residues4
DetailsAnnotated By Reference To The Literature 1aj8
ChainResidueDetails
DSER242
DHIS272
DHIS313
DASP371

site_idCSA11
Number of Residues4
DetailsAnnotated By Reference To The Literature 1aj8
ChainResidueDetails
ESER242
EHIS272
EHIS313
EASP371

site_idCSA12
Number of Residues4
DetailsAnnotated By Reference To The Literature 1aj8
ChainResidueDetails
FSER242
FHIS272
FHIS313
FASP371

site_idCSA2
Number of Residues3
DetailsAnnotated By Reference To The Literature 1aj8
ChainResidueDetails
BHIS272
BHIS313
BASP371

site_idCSA3
Number of Residues3
DetailsAnnotated By Reference To The Literature 1aj8
ChainResidueDetails
CHIS272
CHIS313
CASP371

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1aj8
ChainResidueDetails
DHIS272
DHIS313
DASP371

site_idCSA5
Number of Residues3
DetailsAnnotated By Reference To The Literature 1aj8
ChainResidueDetails
EHIS272
EHIS313
EASP371

site_idCSA6
Number of Residues3
DetailsAnnotated By Reference To The Literature 1aj8
ChainResidueDetails
FHIS272
FHIS313
FASP371

site_idCSA7
Number of Residues4
DetailsAnnotated By Reference To The Literature 1aj8
ChainResidueDetails
ASER242
AHIS272
AHIS313
AASP371

site_idCSA8
Number of Residues4
DetailsAnnotated By Reference To The Literature 1aj8
ChainResidueDetails
BSER242
BHIS272
BHIS313
BASP371

site_idCSA9
Number of Residues4
DetailsAnnotated By Reference To The Literature 1aj8
ChainResidueDetails
CSER242
CHIS272
CHIS313
CASP371

237423

PDB entries from 2025-06-11

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