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1YQZ

Structure of Coenzyme A-Disulfide Reductase from Staphylococcus aureus refined at 1.54 Angstrom resolution

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 Residues6
DetailsBINDING SITE FOR RESIDUE MG B 2001
ChainResidue
AHOH3072
AHOH3090
AHOH3116
BHOH3075
BHOH3110
BHOH3133

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 2002
ChainResidue
AHOH3439
AHOH3546
AHOH3313
AHOH3416
AHOH3433

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 2003
ChainResidue
AHOH3188
AHOH3371
AHOH3601
BHOH3183
BHOH3251

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 3001
ChainResidue
ATYR361
BALA41
BCYS43
BCOA442

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 3002
ChainResidue
AALA41
ACYS43
ACOA441
BTYR361

site_idAC6
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL A 3003
ChainResidue
AHOH3318

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 3004
ChainResidue
BTHR354
BLYS436
BHOH3208

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 3005
ChainResidue
AASN85
AGLU87
AARG88

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 3006
ChainResidue
AHOH3542
BASN85
BGLU87
BARG88

site_idBC1
Number of Residues32
DetailsBINDING SITE FOR RESIDUE COA A 441
ChainResidue
AALA14
ATHR15
ASER18
AGLN19
AARG22
ASER39
APHE40
AASN42
ACYS43
AALA61
ALYS71
AALA295
AHIS299
AFAD439
ACL3002
AHOH3136
AHOH3171
AHOH3259
AHOH3366
AHOH3371
AHOH3398
AHOH3440
AHOH3485
AHOH3510
AHOH3514
AHOH3523
AHOH3667
AHOH3685
BLYS427
BMET432
BTYR435
BLYS436

site_idBC2
Number of Residues30
DetailsBINDING SITE FOR RESIDUE COA B 442
ChainResidue
ATYR419
APRO426
ALYS427
AMET432
ATYR435
ACL3001
BVAL10
BALA11
BALA14
BTHR15
BSER18
BGLN19
BARG22
BSER39
BPHE40
BASN42
BCYS43
BALA61
BTYR62
BARG70
BLYS71
BALA295
BHIS299
BFAD440
BHOH3154
BHOH3320
BHOH3408
BHOH3413
BHOH3550
BHOH3631

site_idBC3
Number of Residues39
DetailsBINDING SITE FOR RESIDUE FAD A 439
ChainResidue
AVAL10
AALA11
AGLY12
APHE32
AGLU33
ALYS34
AASP35
AASN42
ACYS43
AHIS79
AGLU80
AVAL81
ASER112
APRO113
AGLY114
AARG131
ATYR158
AVAL159
APHE245
AGLY276
AASP277
APRO293
ALEU294
AALA295
ACOA441
AHOH3006
AHOH3007
AHOH3009
AHOH3017
AHOH3019
AHOH3020
AHOH3037
AHOH3047
AHOH3058
BTYR419
BALA420
BPRO421
AVAL7
AGLY8

site_idBC4
Number of Residues40
DetailsBINDING SITE FOR RESIDUE FAD B 440
ChainResidue
ATYR419
AALA420
APRO421
BVAL7
BGLY8
BVAL10
BALA11
BGLY12
BPHE32
BGLU33
BLYS34
BASP35
BASN42
BCYS43
BHIS79
BGLU80
BVAL81
BSER112
BPRO113
BGLY114
BARG131
BTYR158
BASN242
BPHE245
BGLY276
BASP277
BPRO293
BLEU294
BALA295
BCOA442
BHOH3007
BHOH3010
BHOH3011
BHOH3023
BHOH3025
BHOH3031
BHOH3034
BHOH3045
BHOH3052
BHOH3321

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Redox-active => ECO:0000269|PubMed:10052943
ChainResidueDetails
ACYS43
BCYS43

site_idSWS_FT_FI2
Number of Residues22
DetailsBINDING: BINDING => ECO:0000269|PubMed:16981688
ChainResidueDetails
AGLY8
ATYR419
ALYS427
BGLY8
BTHR15
BGLN19
BARG22
BSER39
BASN42
BLYS71
BTHR267
ATHR15
BHIS299
BTYR419
BLYS427
AGLN19
AARG22
ASER39
AASN42
ALYS71
ATHR267
AHIS299

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
AVAL151
BVAL151

220113

PDB entries from 2024-05-22

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