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4EQX

Crystal Structure of the C43S 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 Residues38
DetailsBINDING SITE FOR RESIDUE FAD A 501
ChainResidue
AVAL7
AASN42
ASER43
AHIS79
AVAL81
ASER112
APRO113
AGLY114
ALEU130
AARG131
ATYR158
AGLY8
AVAL159
APHE245
AGLY276
AASP277
APRO293
ALEU294
AALA295
AHOH601
AHOH608
AHOH610
AVAL10
AHOH621
AHOH643
AHOH670
AHOH688
AHOH724
AHOH773
BTYR419
BALA420
BPRO421
AALA11
AGLY12
APHE32
AGLU33
ALYS34
AASP35

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG A 502
ChainResidue
AHOH893
AHOH1025
AHOH1027

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 503
ChainResidue
AHOH741
AHOH783
AHOH946
AHOH948
AHOH949
AHOH950

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 504
ChainResidue
AASN85
AASP86
AGLU87
AARG88
AHOH950

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 505
ChainResidue
AALA41
ASER43
AHOH1006
BTYR361
BTYR419

site_idAC6
Number of Residues40
DetailsBINDING SITE FOR RESIDUE FAD B 501
ChainResidue
ATYR419
AALA420
APRO421
BVAL7
BGLY8
BVAL10
BALA11
BGLY12
BPHE32
BGLU33
BLYS34
BASP35
BASN42
BSER43
BHIS79
BGLU80
BVAL81
BSER112
BPRO113
BGLY114
BARG131
BTYR158
BASN242
BPHE245
BGLY276
BASP277
BPRO293
BLEU294
BALA295
BHOH602
BHOH609
BHOH612
BHOH613
BHOH617
BHOH654
BHOH662
BHOH678
BHOH682
BHOH683
BHOH699

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 502
ChainResidue
BGLU87
BARG88
BASN85
BASP86

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 503
ChainResidue
ATYR361
ATYR419
BSER43
BHOH794

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Redox-active => ECO:0000255|HAMAP-Rule:MF_01608
ChainResidueDetails
ASER43
BSER43

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 2024-07-24

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