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4EQR

Crystal structure of the Y361F mutant of Staphylococcus aureus CoADR

Functional Information from GO Data
ChainGOidnamespacecontents
A0003756molecular_functionprotein disulfide isomerase activity
A0016491molecular_functionoxidoreductase activity
A0050451molecular_functionCoA-disulfide reductase (NADPH) activity
A0050660molecular_functionflavin adenine dinucleotide binding
A0050661molecular_functionNADP binding
B0003756molecular_functionprotein disulfide isomerase activity
B0016491molecular_functionoxidoreductase activity
B0050451molecular_functionCoA-disulfide reductase (NADPH) activity
B0050660molecular_functionflavin adenine dinucleotide binding
B0050661molecular_functionNADP binding
Functional Information from PDB Data
site_idAC1
Number of Residues1
DetailsBINDING SITE FOR RESIDUE MG A 501
ChainResidue
AHOH902

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 502
ChainResidue
AALA41
ACYS43
ACOA505
BPHE361
BHOH3571

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 503
ChainResidue
AHOH907
AHOH1241

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 504
ChainResidue
AGLU87
AARG88
AHOH1240
AASN85

site_idAC5
Number of Residues32
DetailsBINDING SITE FOR RESIDUE COA A 505
ChainResidue
AALA14
ATHR15
ASER18
AGLN19
AARG22
ASER39
APHE40
AASN42
ACYS43
ATYR62
ALYS71
AALA295
AHIS299
ACL502
AFAD506
AHOH729
AHOH764
AHOH849
AHOH954
AHOH983
AHOH1063
AHOH1085
AHOH1089
AHOH1096
AHOH1201
AHOH1213
BTYR419
BPRO426
BLYS427
BMET432
BTYR435
BMG3003

site_idAC6
Number of Residues41
DetailsBINDING SITE FOR RESIDUE FAD A 506
ChainResidue
AVAL7
AGLY8
AVAL10
AALA11
AGLY12
APHE32
AGLU33
ALYS34
AASP35
AASN42
ACYS43
AHIS79
AGLU80
AVAL81
ASER112
APRO113
AGLY114
ALEU130
AARG131
ATYR158
AVAL159
APHE245
AGLY276
AASP277
APRO293
ALEU294
AALA295
AALA298
ACOA505
AHOH601
AHOH602
AHOH604
AHOH610
AHOH612
AHOH613
AHOH630
AHOH640
AHOH651
BTYR419
BALA420
BPRO421

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL B 3001
ChainResidue
APHE361
AHOH1239
BALA41
BASN42
BCYS43
BCOA3006

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 3002
ChainResidue
AHOH665
AHOH683
AHOH709
AHOH1240
BHOH3179
BHOH3214

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG B 3003
ChainResidue
BHOH3286
BHOH3353
ACOA505
AHOH781

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 3004
ChainResidue
BVAL353
BTHR354
BHOH3311

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL B 3005
ChainResidue
AHOH709
AHOH1110
BASN85
BASP86
BGLU87
BARG88

site_idBC3
Number of Residues24
DetailsBINDING SITE FOR RESIDUE COA B 3006
ChainResidue
AMET432
ATYR435
BALA11
BALA14
BTHR15
BSER18
BGLN19
BARG22
BSER39
BPHE40
BASN42
BCYS43
BALA61
BTYR62
BLYS71
BALA295
BHIS299
BCL3001
BFAD3007
BHOH3257
BHOH3418
BHOH3497
BHOH3501
BHOH3614

site_idBC4
Number of Residues41
DetailsBINDING SITE FOR RESIDUE FAD B 3007
ChainResidue
ATYR419
AALA420
APRO421
BVAL7
BGLY8
BVAL10
BALA11
BGLY12
BPHE32
BGLU33
BLYS34
BASP35
BASN42
BCYS43
BHIS79
BGLU80
BVAL81
BSER112
BPRO113
BGLY114
BLEU130
BARG131
BTYR158
BASN242
BPHE245
BGLY276
BASP277
BPRO293
BLEU294
BALA295
BCOA3006
BHOH3111
BHOH3114
BHOH3115
BHOH3127
BHOH3129
BHOH3135
BHOH3138
BHOH3149
BHOH3156
BHOH3419

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Redox-active => ECO:0000255|HAMAP-Rule:MF_01608
ChainResidueDetails
ACYS43
BCYS43

site_idSWS_FT_FI2
Number of Residues24
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01608
ChainResidueDetails
AGLY8
AHIS299
ATYR419
ALYS427
BGLY8
BTHR15
BGLN19
BARG22
BSER39
BASN42
BLYS71
ATHR15
BVAL151
BTHR267
BHIS299
BTYR419
BLYS427
AGLN19
AARG22
ASER39
AASN42
ALYS71
AVAL151
ATHR267

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PDB entries from 2024-08-28

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