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4FEE

High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal B

Functional Information from GO Data
ChainGOidnamespacecontents
A0000287molecular_functionmagnesium ion binding
A0003824molecular_functioncatalytic activity
A0030976molecular_functionthiamine pyrophosphate binding
A0047112molecular_functionpyruvate oxidase activity
B0000287molecular_functionmagnesium ion binding
B0003824molecular_functioncatalytic activity
B0030976molecular_functionthiamine pyrophosphate binding
B0047112molecular_functionpyruvate oxidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues35
DetailsBINDING SITE FOR RESIDUE FAD A 701
ChainResidue
AHIS101
AARG264
AVAL265
AGLY284
AASN285
AASN286
APRO288
APHE289
AASP306
AILE307
AASP308
APHE121
ALYS311
AALA324
AASP325
AALA326
AASN398
ASER416
AASN417
APYR704
ATDM708
AHOH8003
AGLY220
AHOH8015
AHOH8037
AHOH8063
AHOH8371
AHOH8455
AHOH8615
AILE221
AGLY222
ATHR244
ATYR245
AALA262
AASN263

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 702
ChainResidue
AALA23
ATRP24
ALYS75
ATYR158
ATYR189
AHOH8632
BHOH1427
BHOH1444

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE PYR A 703
ChainResidue
ALEU555
AARG556
ALEU557
AASP558
AMET561
ASER562
AHOH8159
AHOH8235
AHOH8608

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PYR A 704
ChainResidue
APHE121
AASN263
AARG264
AFAD701
AHOH8819
AHOH8821

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 705
ChainResidue
ALYS433
APRO437
AGLU438
APRO466
AALA533
AGLN534
AHOH8197
AHOH8212
AHOH8480

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 706
ChainResidue
ATRP174
ATHR487
AGLN489
AHOH8574

site_idAC7
Number of Residues11
DetailsBINDING SITE FOR RESIDUE PO4 A 707
ChainResidue
AGLY34
AGLY35
ASER36
ASER82
APHE111
AGLN122
AILE480
ATDM708
AHOH8221
AHOH8284
AHOH8813

site_idAC8
Number of Residues27
DetailsBINDING SITE FOR RESIDUE TDM A 708
ChainResidue
AGLY478
APHE479
AILE480
AFAD701
APO4707
AMG710
AHOH8052
AHOH8073
AHOH8082
AHOH8115
APRO33
AGLU59
ASER82
APRO85
AHIS89
AGLN122
AVAL394
AASP396
AALA420
AMET422
AGLY446
AASP447
AGLY448
AGLY449
AASN474
AGLN476
ATYR477

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 709
ChainResidue
AARG224
APRO409
AHOH8127
AHOH8189
AHOH8271
AHOH8741

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 710
ChainResidue
AASP447
AASN474
AGLN476
ATDM708
AHOH8082

site_idBC2
Number of Residues35
DetailsBINDING SITE FOR RESIDUE FAD B 701
ChainResidue
BHIS101
BPHE121
BGLY220
BILE221
BGLY222
BTHR244
BTYR245
BALA262
BASN263
BARG264
BVAL265
BGLY284
BASN285
BASN286
BPRO288
BPHE289
BASP306
BILE307
BASP308
BLYS311
BALA324
BASP325
BALA326
BASN398
BSER416
BASN417
BPYR703
BTDM704
BHOH811
BHOH821
BHOH837
BHOH858
BHOH1110
BHOH1158
BHOH1524

site_idBC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE PYR B 702
ChainResidue
BLEU555
BARG556
BLEU557
BASP558
BMET561
BSER562
BHOH1126
BHOH1192
BHOH1262

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PYR B 703
ChainResidue
BPHE121
BASN263
BARG264
BFAD701
BHOH1275

site_idBC5
Number of Residues27
DetailsBINDING SITE FOR RESIDUE TDM B 704
ChainResidue
BPRO33
BGLU59
BSER82
BPRO85
BHIS89
BGLN122
BVAL394
BASP396
BALA420
BMET422
BGLY446
BASP447
BGLY448
BGLY449
BASN474
BGLN476
BTYR477
BGLY478
BPHE479
BILE480
BFAD701
BPO4705
BMG708
BHOH820
BHOH929
BHOH940
BHOH1335

site_idBC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE PO4 B 705
ChainResidue
BGLY34
BGLY35
BSER36
BSER82
BPHE111
BGLN122
BILE480
BTDM704
BHOH928
BHOH950

site_idBC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 706
ChainResidue
AHOH8219
BALA569
BPHE570
BARG573
BTYR574
BHOH907
BHOH996

site_idBC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL B 707
ChainResidue
BARG224
BPRO409
BARG412
BHOH943
BHOH1089
BHOH1402

site_idBC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 708
ChainResidue
BASP447
BASN474
BGLN476
BTDM704
BHOH940

Functional Information from PROSITE/UniProt
site_idPS00187
Number of Residues20
DetailsTPP_ENZYMES Thiamine pyrophosphate enzymes signature. IAaklnyPerqvFnLaGDGG
ChainResidueDetails
AILE430-GLY449

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PDB entries from 2024-06-12

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