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1G8K

CRYSTAL STRUCTURE ANALYSIS OF ARSENITE OXIDASE FROM ALCALIGENES FAECALIS

Functional Information from GO Data
ChainGOidnamespacecontents
A0016491molecular_functionoxidoreductase activity
A0043546molecular_functionmolybdopterin cofactor binding
A0045333biological_processcellular respiration
A0046872molecular_functionmetal ion binding
A0050611molecular_functionarsenate reductase (azurin) activity
A0051536molecular_functioniron-sulfur cluster binding
A0051538molecular_function3 iron, 4 sulfur cluster binding
A1990204cellular_componentoxidoreductase complex
B0005886cellular_componentplasma membrane
B0016020cellular_componentmembrane
B0016491molecular_functionoxidoreductase activity
B0046872molecular_functionmetal ion binding
B0050611molecular_functionarsenate reductase (azurin) activity
B0051537molecular_function2 iron, 2 sulfur cluster binding
C0016491molecular_functionoxidoreductase activity
C0043546molecular_functionmolybdopterin cofactor binding
C0045333biological_processcellular respiration
C0046872molecular_functionmetal ion binding
C0050611molecular_functionarsenate reductase (azurin) activity
C0051536molecular_functioniron-sulfur cluster binding
C0051538molecular_function3 iron, 4 sulfur cluster binding
C1990204cellular_componentoxidoreductase complex
D0005886cellular_componentplasma membrane
D0016020cellular_componentmembrane
D0016491molecular_functionoxidoreductase activity
D0046872molecular_functionmetal ion binding
D0050611molecular_functionarsenate reductase (azurin) activity
D0051537molecular_function2 iron, 2 sulfur cluster binding
E0016491molecular_functionoxidoreductase activity
E0043546molecular_functionmolybdopterin cofactor binding
E0045333biological_processcellular respiration
E0046872molecular_functionmetal ion binding
E0050611molecular_functionarsenate reductase (azurin) activity
E0051536molecular_functioniron-sulfur cluster binding
E0051538molecular_function3 iron, 4 sulfur cluster binding
E1990204cellular_componentoxidoreductase complex
F0005886cellular_componentplasma membrane
F0016020cellular_componentmembrane
F0016491molecular_functionoxidoreductase activity
F0046872molecular_functionmetal ion binding
F0050611molecular_functionarsenate reductase (azurin) activity
F0051537molecular_function2 iron, 2 sulfur cluster binding
G0016491molecular_functionoxidoreductase activity
G0043546molecular_functionmolybdopterin cofactor binding
G0045333biological_processcellular respiration
G0046872molecular_functionmetal ion binding
G0050611molecular_functionarsenate reductase (azurin) activity
G0051536molecular_functioniron-sulfur cluster binding
G0051538molecular_function3 iron, 4 sulfur cluster binding
G1990204cellular_componentoxidoreductase complex
H0005886cellular_componentplasma membrane
H0016020cellular_componentmembrane
H0016491molecular_functionoxidoreductase activity
H0046872molecular_functionmetal ion binding
H0050611molecular_functionarsenate reductase (azurin) activity
H0051537molecular_function2 iron, 2 sulfur cluster binding
Functional Information from PDB Data
site_idAC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE HG B 6001
ChainResidue
AARG822
BCYS95
BHOH6059

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE HG D 6002
ChainResidue
CTYR236
CARG822
DCYS95
DHOH6076

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE HG F 6003
ChainResidue
EHOH7484
FCYS95
ETYR236
EARG822

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE HG H 6004
ChainResidue
GTYR236
GARG822
HCYS95
HHOH6126

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE HG A 6005
ChainResidue
AGLU203
ACYS204
ATYR383
AGLN397

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE HG C 6006
ChainResidue
CGLU203
CCYS204
CTHR207
CTYR383
CGLN397

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE HG E 6007
ChainResidue
EGLU203
ECYS204
ETYR383
EGLN397

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE HG G 6008
ChainResidue
GGLU203
GCYS204
GTYR383
GGLN397

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE HG A 6009
ChainResidue
ACYS735
ALYS736
AVAL740
AHOH7034

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE HG C 6010
ChainResidue
CCYS735
CLYS736
CVAL740
CHOH7112
CHOH7830

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE HG E 6011
ChainResidue
ECYS735
ELYS736
EVAL740
EHOH7118

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE HG G 6012
ChainResidue
GCYS735
GLYS736
GVAL740
GHOH7061

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA A 5007
ChainResidue
AGLY825
AHOH7805
AHOH7806
AHOH7807
BHOH6164
BHOH6165
BHOH6166

site_idBC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 5008
ChainResidue
AGLN467
ASER754
AASP783
AHOH7808
CASP129
CHOH7910

site_idBC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA C 5107
ChainResidue
CGLY825
CHOH7911
CHOH7912
CHOH7913
DHOH6157
DHOH6158
DHOH6159

site_idBC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA C 5108
ChainResidue
AASP129
AHOH7809
CGLN467
CSER754
CASP783
CHOH7914

site_idBC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA E 5207
ChainResidue
EGLY825
EHOH7882
EHOH7883
EHOH7884
EHOH7885
FHOH6164
FHOH6165

site_idBC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA E 5208
ChainResidue
EGLN467
ESER754
EASP783
EHOH7886
GASP129
GHOH7853

site_idCC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA G 5307
ChainResidue
GGLY825
GHOH7854
GHOH7855
GHOH7856
HHOH6166
HHOH6167
HHOH6168

site_idCC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA G 5308
ChainResidue
GASP783
GHOH7857
EASP129
EHOH7887
GGLN467
GSER754

site_idCC3
Number of Residues36
DetailsBINDING SITE FOR RESIDUE MGD A 5001
ChainResidue
AGLY170
AHIS195
AASN196
ALYS385
ATRP389
AHIS423
AGLY456
ACYS457
AASN458
ATHR462
AILE513
AASN514
ALEU515
ATHR518
AALA530
AALA531
AASP563
AASN700
AARG702
AGLN708
ATHR709
ATYR711
APHE774
AGLN781
ATHR785
ATYR797
ALYS798
AMGD5002
AO5003
A4MO5004
AHOH7024
AHOH7031
AHOH7041
AHOH7047
AHOH7074
AHOH7126

site_idCC4
Number of Residues35
DetailsBINDING SITE FOR RESIDUE MGD A 5002
ChainResidue
AARG101
AGLY232
AASN233
AASN234
AGLU237
ASER238
AGLN239
AVAL276
AASP277
APRO278
AARG279
ATHR281
AGLY304
AASP306
AGLU384
ALYS385
AGLY386
AGLY422
AHIS423
ATRP697
AASN699
AGLY701
AARG702
AASN703
AASN704
AVAL706
ATRP707
AGLN708
ALYS798
AMGD5001
AO5003
A4MO5004
AHOH7018
AHOH7062
AHOH7094

site_idCC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE O A 5003
ChainResidue
AASN196
ALYS385
AMGD5001
AMGD5002
A4MO5004
AHOH7153
AHOH7660

site_idCC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE 4MO A 5004
ChainResidue
AARG702
AMGD5001
AMGD5002
AO5003

site_idCC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE F3S A 5005
ChainResidue
ACYS21
ACYS24
AGLY27
ACYS28
ATYR30
ASER99
AARG101
AASN241

site_idCC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FES B 5006
ChainResidue
BCYS60
BHIS62
BMET63
BCYS78
BHIS81
BTHR83

site_idCC9
Number of Residues36
DetailsBINDING SITE FOR RESIDUE MGD C 5101
ChainResidue
CGLY170
CHIS195
CASN196
CLYS385
CTRP389
CHIS423
CGLY456
CCYS457
CASN458
CASN459
CTHR462
CILE513
CASN514
CLEU515
CTHR518
CALA530
CALA531
CASP563
CASN700
CARG702
CGLN708
CTHR709
CTYR711
CPHE774
CGLN781
CTYR797
CLYS798
CMGD5102
CO5103
C4MO5104
CHOH7026
CHOH7045
CHOH7046
CHOH7060
CHOH7099
CHOH7133

site_idDC1
Number of Residues35
DetailsBINDING SITE FOR RESIDUE MGD C 5102
ChainResidue
CARG101
CGLY232
CASN233
CASN234
CGLU237
CSER238
CGLN239
CVAL276
CASP277
CPRO278
CARG279
CTHR281
CGLY304
CASP306
CGLU384
CLYS385
CGLY386
CGLY422
CHIS423
CTRP697
CASN699
CGLY701
CARG702
CASN703
CASN704
CVAL706
CTRP707
CGLN708
CLYS798
CMGD5101
CO5103
C4MO5104
CHOH7011
CHOH7044
CHOH7077

site_idDC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE O C 5103
ChainResidue
CASN196
CLYS385
CMGD5101
CMGD5102
C4MO5104
CHOH7098

site_idDC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE 4MO C 5104
ChainResidue
CARG702
CMGD5101
CMGD5102
CO5103

site_idDC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE F3S C 5105
ChainResidue
CCYS21
CCYS24
CGLY27
CCYS28
CTYR30
CSER99
CARG101
CASN241

site_idDC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FES D 5106
ChainResidue
DCYS60
DHIS62
DMET63
DCYS78
DHIS81
DTHR83

site_idDC6
Number of Residues36
DetailsBINDING SITE FOR RESIDUE MGD E 5201
ChainResidue
EGLY170
EHIS195
EASN196
ELYS385
ETRP389
EHIS423
EGLY456
ECYS457
EASN458
ETHR462
EILE513
EASN514
ELEU515
ETHR518
EALA530
EALA531
EASP563
EASN700
EARG702
EGLN708
ETHR709
ETYR711
EPHE774
EGLN781
ETHR785
ETYR797
ELYS798
EMGD5202
EO5203
E4MO5204
EHOH7044
EHOH7053
EHOH7078
EHOH7081
EHOH7102
EHOH7103

site_idDC7
Number of Residues35
DetailsBINDING SITE FOR RESIDUE MGD E 5202
ChainResidue
EARG101
EGLY232
EASN233
EASN234
EGLU237
ESER238
EGLN239
EVAL276
EASP277
EPRO278
EARG279
ETHR281
EGLY304
EASP306
EGLU384
ELYS385
EGLY386
EGLY422
EHIS423
ETRP697
EASN699
EGLY701
EARG702
EASN703
EASN704
EVAL706
ETRP707
EGLN708
ELYS798
EMGD5201
EO5203
E4MO5204
EHOH7029
EHOH7047
EHOH7095

site_idDC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE O E 5203
ChainResidue
EASN196
ELYS385
EMGD5201
EMGD5202
E4MO5204
EHOH7162

site_idDC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE 4MO E 5204
ChainResidue
EARG702
EMGD5201
EMGD5202
EO5203

site_idEC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE F3S E 5205
ChainResidue
ECYS21
ECYS24
EGLY27
ECYS28
ETYR30
ESER99
EARG101
EASN241

site_idEC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FES F 5206
ChainResidue
FCYS60
FHIS62
FMET63
FCYS78
FHIS81
FTHR83

site_idEC3
Number of Residues36
DetailsBINDING SITE FOR RESIDUE MGD G 5301
ChainResidue
GGLY170
GHIS195
GASN196
GLYS385
GTRP389
GHIS423
GGLY456
GCYS457
GASN458
GASN459
GTHR462
GILE513
GASN514
GLEU515
GTHR518
GALA530
GALA531
GASP563
GASN700
GARG702
GGLN708
GTHR709
GTYR711
GPHE774
GGLN781
GTYR797
GLYS798
GMGD5302
GO5303
G4MO5304
GHOH7023
GHOH7030
GHOH7037
GHOH7053
GHOH7110
GHOH7120

site_idEC4
Number of Residues35
DetailsBINDING SITE FOR RESIDUE MGD G 5302
ChainResidue
GARG101
GGLY232
GASN233
GASN234
GGLU237
GSER238
GGLN239
GVAL276
GASP277
GPRO278
GARG279
GTHR281
GGLY304
GASP306
GGLU384
GLYS385
GGLY386
GGLY422
GHIS423
GTRP697
GASN699
GGLY701
GARG702
GASN703
GASN704
GVAL706
GTRP707
GGLN708
GLYS798
GMGD5301
GO5303
G4MO5304
GHOH7014
GHOH7084
GHOH7088

site_idEC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE O G 5303
ChainResidue
GASN196
GLYS385
GMGD5301
GMGD5302
G4MO5304
GHOH7217

site_idEC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE 4MO G 5304
ChainResidue
GARG702
GMGD5301
GMGD5302
GO5303

site_idEC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE F3S G 5305
ChainResidue
GCYS21
GCYS24
GGLY27
GCYS28
GTYR30
GSER99
GARG101
GASN241

site_idEC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FES H 5306
ChainResidue
HCYS60
HHIS62
HMET63
HCYS78
HHIS81
HTHR83

site_idEC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 7001
ChainResidue
AVAL92
AVAL93
ATYR219
AGLU220
AHIS246
AGLU544
AARG546
AHOH7052
FALA112

site_idFC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO C 7002
ChainResidue
CVAL92
CVAL93
CTYR219
CGLU220
CHIS246
CGLU544
CARG546
CHOH7090
HALA112

site_idFC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO E 7003
ChainResidue
BALA112
EVAL92
EVAL93
ETYR219
EGLU220
EHIS246
EGLU544
EHOH7051

site_idFC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO G 7004
ChainResidue
DALA112
GVAL92
GVAL93
GTYR219
GGLU220
GHIS246
GGLU544
GHOH7031

site_idFC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 7005
ChainResidue
AASP88
ASER636
AGLY637
AASN638
AASN639
AHOH7171
AHOH7276

site_idFC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO C 7006
ChainResidue
CASP88
CSER636
CGLY637
CASN638
CASN639
CHOH7119
CHOH7127

site_idFC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO E 7007
ChainResidue
EASP88
ESER636
EGLY637
EASN638
EASN639
EHOH7189
EHOH7248

site_idFC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO G 7008
ChainResidue
GASP88
GSER636
GGLY637
GASN638
GASN639
GHOH7172
GHOH7240

site_idFC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO E 7009
ChainResidue
CARG450
CGLN504
EASP392
EVAL395
EASP790
EARG791
EHOH7494

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues16
DetailsBINDING:
ChainResidueDetails
BLEU102
FARG104
FGLY120
FGLY123
HLEU102
HARG104
HGLY120
HGLY123
BARG104
BGLY120
BGLY123
DLEU102
DARG104
DGLY120
DGLY123
FLEU102

site_idSWS_FT_FI2
Number of Residues16
DetailsBINDING:
ChainResidueDetails
AHIS195
EGLU203
EARG419
EHIS423
GHIS195
GGLU203
GARG419
GHIS423
AGLU203
AARG419
AHIS423
CHIS195
CGLU203
CARG419
CHIS423
EHIS195

site_idSWS_FT_FI3
Number of Residues4
DetailsSITE: Involved in charge transfer => ECO:0000305
ChainResidueDetails
ASER99
CSER99
ESER99
GSER99

Catalytic Information from CSA
site_idCSA1
Number of Residues1
DetailsAnnotated By Reference To The Literature 1tmo
ChainResidueDetails
AALA199

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1tmo
ChainResidueDetails
CALA199

site_idCSA3
Number of Residues1
DetailsAnnotated By Reference To The Literature 1tmo
ChainResidueDetails
EALA199

site_idCSA4
Number of Residues1
DetailsAnnotated By Reference To The Literature 1tmo
ChainResidueDetails
GALA199

site_idCSA5
Number of Residues1
DetailsAnnotated By Reference To The Literature 1tmo
ChainResidueDetails
AASN201

site_idCSA6
Number of Residues1
DetailsAnnotated By Reference To The Literature 1tmo
ChainResidueDetails
CASN201

site_idCSA7
Number of Residues1
DetailsAnnotated By Reference To The Literature 1tmo
ChainResidueDetails
EASN201

site_idCSA8
Number of Residues1
DetailsAnnotated By Reference To The Literature 1tmo
ChainResidueDetails
GASN201

site_idMCSA1
Number of Residues2
DetailsM-CSA 144
ChainResidueDetails
BARG104hydrogen bond donor, metal ligand, single electron acceptor, single electron donor, single electron relay
BGLY123metal ligand, single electron acceptor, single electron donor, single electron relay
ASER99hydrogen bond donor, single electron acceptor, single electron donor, single electron relay
ASER238hydrogen bond acceptor, single electron acceptor, single electron donor, single electron relay

site_idMCSA2
Number of Residues2
DetailsM-CSA 144
ChainResidueDetails
DARG104hydrogen bond donor, metal ligand, single electron acceptor, single electron donor, single electron relay
DGLY123metal ligand, single electron acceptor, single electron donor, single electron relay
CSER99hydrogen bond donor, single electron acceptor, single electron donor, single electron relay
CSER238hydrogen bond acceptor, single electron acceptor, single electron donor, single electron relay

site_idMCSA3
Number of Residues2
DetailsM-CSA 144
ChainResidueDetails
FARG104hydrogen bond donor, metal ligand, single electron acceptor, single electron donor, single electron relay
FGLY123metal ligand, single electron acceptor, single electron donor, single electron relay
ESER99hydrogen bond donor, single electron acceptor, single electron donor, single electron relay
ESER238hydrogen bond acceptor, single electron acceptor, single electron donor, single electron relay

site_idMCSA4
Number of Residues2
DetailsM-CSA 144
ChainResidueDetails
HARG104hydrogen bond donor, metal ligand, single electron acceptor, single electron donor, single electron relay
HGLY123metal ligand, single electron acceptor, single electron donor, single electron relay
GSER99hydrogen bond donor, single electron acceptor, single electron donor, single electron relay
GSER238hydrogen bond acceptor, single electron acceptor, single electron donor, single electron relay

219140

PDB entries from 2024-05-01

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