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2EZT

Pyruvate oxidase variant F479W in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate

Functional Information from GO Data
ChainGOidnamespacecontents
A0000287molecular_functionmagnesium ion binding
A0003824molecular_functioncatalytic activity
A0016491molecular_functionoxidoreductase activity
A0030976molecular_functionthiamine pyrophosphate binding
A0046872molecular_functionmetal ion binding
A0047112molecular_functionpyruvate oxidase activity
B0000287molecular_functionmagnesium ion binding
B0003824molecular_functioncatalytic activity
B0016491molecular_functionoxidoreductase activity
B0030976molecular_functionthiamine pyrophosphate binding
B0046872molecular_functionmetal ion binding
B0047112molecular_functionpyruvate oxidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 1510
ChainResidue
AASP447
AASN474
AGLN476
ATDM1611
AHOH2083

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA B 1511
ChainResidue
BHOH1682
BHOH1682
BMET452
BMET452
BGLN455
BGLN455

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE PO4 A 1512
ChainResidue
AGLY34
AGLY35
ASER36
ASER82
AGLN122
AILE480
ATDM1611
AHOH1791
AHOH1964

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 1513
ChainResidue
BASP447
BASN474
BGLN476
BTDM1614
BHOH2080

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA A 1514
ChainResidue
AMET452
AMET452
AGLN455
AGLN455
AHOH1688
AHOH1688

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE PO4 B 1515
ChainResidue
BGLY34
BGLY35
BSER36
BSER82
BGLN122
BILE480
BTDM1614
BHOH1734
BHOH2085

site_idAC7
Number of Residues27
DetailsBINDING SITE FOR RESIDUE TDM A 1611
ChainResidue
APRO33
AGLU59
ASER82
APRO85
AHIS89
AGLN122
AVAL394
AASP396
AALA420
AMET422
AGLY446
AASP447
AGLY448
AGLY449
AASN474
AGLN476
ATYR477
AGLY478
ATRP479
AILE480
AMG1510
APO41512
AFAD1612
AHOH1615
AHOH1647
AHOH1650
AHOH2083

site_idAC8
Number of Residues32
DetailsBINDING SITE FOR RESIDUE FAD A 1612
ChainResidue
AHIS101
APHE121
AGLY220
AILE221
AGLY222
ATHR244
ATYR245
APRO246
AALA262
AASN263
AARG264
AVAL265
AGLY284
AASN285
AASN286
APRO288
APHE289
AASP306
AILE307
AASP308
ALYS311
AASP325
AALA326
AASN398
ASER416
AASN417
ATDM1611
AHOH1630
AHOH1646
AHOH1661
AHOH1681
AHOH1911

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PYR A 1613
ChainResidue
ALEU555
ALEU557
AASP558
ASER562
AHOH1816
AHOH1831

site_idBC1
Number of Residues28
DetailsBINDING SITE FOR RESIDUE TDM B 1614
ChainResidue
BPRO33
BGLU59
BSER82
BPRO85
BHIS89
BGLN122
BVAL394
BGLY395
BASP396
BALA420
BMET422
BGLY446
BASP447
BGLY448
BGLY449
BASN474
BGLN476
BTYR477
BGLY478
BTRP479
BILE480
BMG1513
BPO41515
BFAD1615
BHOH1620
BHOH1645
BHOH1653
BHOH2080

site_idBC2
Number of Residues34
DetailsBINDING SITE FOR RESIDUE FAD B 1615
ChainResidue
BHIS101
BPHE121
BGLY220
BILE221
BGLY222
BTHR244
BTYR245
BALA262
BASN263
BARG264
BVAL265
BGLY284
BASN285
BASN286
BTYR287
BPRO288
BPHE289
BASP306
BILE307
BASP308
BLYS311
BALA324
BASP325
BALA326
BASN398
BSER416
BASN417
BTDM1614
BHOH1634
BHOH1635
BHOH1665
BHOH1674
BHOH1966
BHOH2055

site_idBC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PYR B 1616
ChainResidue
BLEU555
BARG556
BLEU557
BASP558
BMET561
BSER562
BHOH1948

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

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsBINDING:
ChainResidueDetails
AASP447
AASN474
AGLN476
BASP447
BASN474
BGLN476

Catalytic Information from CSA
site_idMCSA1
Number of Residues8
DetailsM-CSA 274
ChainResidueDetails
AGLU59activator, hydrogen bond acceptor, increase acidity, proton acceptor, proton donor
APHE121electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
AGLN122activator, electrostatic destabiliser, hydrogen bond acceptor, hydrogen bond donor, promote heterolysis
AARG264radical stabiliser
AVAL394polar/non-polar interaction, promote heterolysis, radical stabiliser, steric role
ATRP479electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
AILE480electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
AGLU483radical stabiliser

site_idMCSA2
Number of Residues8
DetailsM-CSA 274
ChainResidueDetails
BGLU59activator, hydrogen bond acceptor, increase acidity, proton acceptor, proton donor
BPHE121electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
BGLN122activator, electrostatic destabiliser, hydrogen bond acceptor, hydrogen bond donor, promote heterolysis
BARG264radical stabiliser
BVAL394polar/non-polar interaction, promote heterolysis, radical stabiliser, steric role
BTRP479electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
BILE480electrostatic destabiliser, polar/non-polar interaction, promote heterolysis, radical stabiliser
BGLU483radical stabiliser

221051

PDB entries from 2024-06-12

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