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4FEG

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

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 Residues9
DetailsBINDING SITE FOR RESIDUE PYR A 701
ChainResidue
ALEU555
AARG556
ALEU557
AASP558
AMET561
ASER562
AHOH977
AHOH1633
AHOH1687

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PYR A 702
ChainResidue
APHE121
AASN263
AARG264
AFAD709
AHOH1258
AHOH1488

site_idAC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE PO4 A 703
ChainResidue
AGLY34
AGLY35
ASER36
ASER82
APHE111
AGLN122
AILE480
ATDM708
AHOH909
AHOH956
AHOH1679
AHOH1766

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 704
ChainResidue
ATRP24
ALYS75
ATYR158
ATYR189
AHOH1032
AHOH1684
BHOH7778

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 705
ChainResidue
ALYS433
APRO437
AGLU438
APRO466
AALA533
AGLN534
AHOH1047
AHOH1225
AHOH1483

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 706
ChainResidue
AARG156
AHIS160
AHOH849
AHOH894
AHOH1701
BASN286
BLYS311
BLYS314
BHOH7143

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 707
ChainResidue
AASP447
AASN474
AGLN476
ATDM708
AHOH1632

site_idAC8
Number of Residues27
DetailsBINDING SITE FOR RESIDUE TDM A 708
ChainResidue
APRO33
AGLU59
ASER82
APRO85
AHIS89
AGLN122
AVAL394
AASP396
AALA420
AMET422
AGLY446
AASP447
AGLY448
AGLY449
AASN474
AGLN476
ATYR477
AGLY478
APHE479
AILE480
APO4703
AMG707
AFAD709
AHOH813
AHOH822
AHOH847
AHOH1632

site_idAC9
Number of Residues35
DetailsBINDING SITE FOR RESIDUE FAD A 709
ChainResidue
APHE289
AASP306
AILE307
AASP308
ALYS311
AALA324
AASP325
AALA326
AASN398
ASER416
AASN417
APYR702
ATDM708
AHOH802
AHOH805
AHOH806
AHOH835
AHOH1350
AHOH1423
AHOH1642
AHIS101
APHE121
AGLY220
AILE221
AGLY222
ATHR244
ATYR245
AALA262
AASN263
AARG264
AVAL265
AGLY284
AASN285
AASN286
APRO288

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 710
ChainResidue
ATRP174
ATHR487
AGLN489
AHOH978
AHOH1268
AHOH1630

site_idBC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE PYR B 701
ChainResidue
BLEU555
BARG556
BLEU557
BASP558
BMET561
BSER562
BHOH7219
BHOH7320
BHOH7670

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PYR B 702
ChainResidue
BPHE121
BASN263
BARG264
BFAD710
BHOH7316
BHOH7680

site_idBC4
Number of Residues11
DetailsBINDING SITE FOR RESIDUE PO4 B 703
ChainResidue
BGLY34
BGLY35
BSER36
BSER82
BPHE111
BGLN122
BILE480
BTDM709
BHOH7057
BHOH7131
BHOH7828

site_idBC5
Number of Residues12
DetailsBINDING SITE FOR RESIDUE GOL B 704
ChainResidue
BGLY25
BASP27
BHIS28
BASP69
BTHR73
BLYS75
BILE76
BASN435
BHOH7034
BHOH7615
BHOH7802
BHOH7835

site_idBC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 705
ChainResidue
AHOH1012
BALA569
BPHE570
BARG573
BTYR574
BHOH7137
BHOH7144
BHOH7887

site_idBC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 706
ChainResidue
BLYS433
BPRO437
BGLU438
BPRO466
BALA533
BGLN534
BHOH7346
BHOH7638

site_idBC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 707
ChainResidue
BPRO409
BARG412
BHOH7114
BHOH7178
BHOH7395
BHOH7575
BHOH7792

site_idBC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 708
ChainResidue
BASP447
BASN474
BGLN476
BTDM709
BHOH7798

site_idCC1
Number of Residues27
DetailsBINDING SITE FOR RESIDUE TDM B 709
ChainResidue
BPRO33
BGLU59
BSER82
BPRO85
BHIS89
BGLN122
BVAL394
BASP396
BALA420
BMET422
BGLY446
BASP447
BGLY448
BGLY449
BASN474
BGLN476
BTYR477
BGLY478
BPHE479
BILE480
BPO4703
BMG708
BFAD710
BHOH7010
BHOH7023
BHOH7045
BHOH7798

site_idCC2
Number of Residues37
DetailsBINDING SITE FOR RESIDUE FAD B 710
ChainResidue
BHIS101
BPHE121
BGLY220
BILE221
BGLY222
BTHR244
BTYR245
BPRO246
BALA262
BASN263
BARG264
BVAL265
BGLY284
BASN285
BASN286
BTYR287
BPRO288
BPHE289
BASP306
BILE307
BASP308
BLYS311
BALA324
BASP325
BALA326
BASN398
BSER416
BASN417
BPYR702
BTDM709
BHOH7001
BHOH7003
BHOH7015
BHOH7019
BHOH7611
BHOH7675
BHOH7739

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 2024-05-01

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