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3T2Z

Crystal structure of sulfide:quinone oxidoreductase from Acidithiobacillus ferrooxidans

Replaces:  3KPI
Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0016020cellular_componentmembrane
A0016491molecular_functionoxidoreductase activity
A0048038molecular_functionquinone binding
A0070224molecular_functionsulfide:quinone oxidoreductase activity
B0000166molecular_functionnucleotide binding
B0016020cellular_componentmembrane
B0016491molecular_functionoxidoreductase activity
B0048038molecular_functionquinone binding
B0070224molecular_functionsulfide:quinone oxidoreductase activity
Functional Information from PDB Data
site_idAC1
Number of Residues40
DetailsBINDING SITE FOR RESIDUE FAD A 500
ChainResidue
ALEU7
APRO43
ASER77
AALA78
AALA104
ATHR105
AGLY106
APRO107
ACYS160
APRO163
AGLY301
AGLY8
AILE302
ATHR321
AGLY322
AILE325
AVAL355
APHE357
ALYS391
AS3H442
AH2S443
AHOH465
AALA9
ABU2502
AHOH515
AHOH526
AHOH542
AHOH555
AHOH614
AHOH618
AHOH685
AHOH702
AHOH734
AGLY10
AHOH758
ATHR11
AGLY12
ASER34
AALA35
AVAL42

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE BU2 A 502
ChainResidue
APRO43
AVAL355
APHE357
ALYS391
APHE394
AMET418
AFAD500
AHOH531
AHOH548

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 435
ChainResidue
ATYR397
AARG400
ALYS401
ALYS413
ALYS417

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 436
ChainResidue
AHIS334
AARG343
ALYS344
AGLY345
AGLU346

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 437
ChainResidue
ALYS401
AVAL406
ASER407
APRO409
APHE410
ALYS413

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 438
ChainResidue
ATYR195
AHIS198
AGLN202
AGLU310
AHOH752

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 439
ChainResidue
AARG63
AILE74
AALA75
AGLN76
BHIS72

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE H2S A 440
ChainResidue
ALEU109
ASER126
ACYS128
ATHR129
AHIS132

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE S3H A 442
ChainResidue
ACYS160
ACYS356
AH2S441
AH2S445
AFAD500

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE H2S A 441
ChainResidue
APRO163
AGLU166
ACYS356
APHE357
AS3H442
AHOH532

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE H2S A 443
ChainResidue
ACYS356
AH2S444
AH2S445
AFAD500

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE H2S A 444
ChainResidue
ACYS160
APRO319
AH2S443

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE H2S A 445
ChainResidue
ACYS356
AS3H442
AH2S443
AHOH620
AGLY162

site_idBC5
Number of Residues10
DetailsBINDING SITE FOR RESIDUE BU2 B 501
ChainResidue
BPHE41
BPRO43
BVAL355
BCYS356
BPHE357
BLYS391
BPHE394
BMET418
BFAD500
BHOH617

site_idBC6
Number of Residues39
DetailsBINDING SITE FOR RESIDUE FAD B 500
ChainResidue
BLEU7
BGLY8
BALA9
BGLY10
BTHR11
BGLY12
BSER34
BALA35
BVAL42
BPRO43
BSER77
BALA78
BALA104
BTHR105
BGLY106
BPRO107
BCYS128
BCYS160
BPRO163
BGLY301
BILE302
BTHR321
BGLY322
BILE325
BVAL355
BPHE357
BLYS391
BS3H442
BH2S443
BHOH450
BHOH474
BHOH489
BHOH494
BBU2501
BHOH608
BHOH656
BHOH661
BHOH726
BHOH759

site_idBC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 435
ChainResidue
BTYR397
BARG400
BLYS401
BLYS413
BLYS417
BARG423

site_idBC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 436
ChainResidue
AHIS72
AHOH716
BASP37
BARG63
BALA75

site_idBC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 437
ChainResidue
BHIS334
BARG343
BLYS344
BGLY345
BGLU346
BGLN347

site_idCC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 438
ChainResidue
BTYR195
BHIS198
BGLN202
BGLU310
BHOH540

site_idCC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 439
ChainResidue
BLYS401
BVAL406
BSER407
BPHE410
BLYS413

site_idCC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 440
ChainResidue
BLYS176
BGLY179
BMET180
BARG181
BASP182

site_idCC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE H2S B 441
ChainResidue
BLEU109
BSER126
BCYS128
BTHR129
BHIS132

site_idCC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE S3H B 442
ChainResidue
BCYS160
BCYS356
BH2S445
BH2S447
BFAD500

site_idCC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE H2S B 443
ChainResidue
BTHR321
BCYS356
BH2S444
BH2S445
BFAD500

site_idCC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE H2S B 444
ChainResidue
BCYS160
BH2S443
BFAD500

site_idCC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE H2S B 445
ChainResidue
BGLY162
BCYS356
BS3H442
BH2S443
BHOH619

site_idCC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE H2S B 447
ChainResidue
BPRO163
BGLU166
BCYS356
BPHE357
BS3H442

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Cysteine persulfide intermediate => ECO:0000269|PubMed:20303979, ECO:0000269|PubMed:22542586
ChainResidueDetails
ACYS160
ACYS356
BCYS160
BCYS356

site_idSWS_FT_FI2
Number of Residues12
DetailsBINDING: BINDING => ECO:0000269|PubMed:20303979, ECO:0000269|PubMed:22542586
ChainResidueDetails
AGLY8
BILE302
BGLY322
BLYS391
ASER34
ASER77
AILE302
AGLY322
ALYS391
BGLY8
BSER34
BSER77

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PDB entries from 2024-07-17

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