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4EQS

Crystal structure of the Y419F 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 Residues3
DetailsBINDING SITE FOR RESIDUE MG A 501
ChainResidue
AHOH901
AHOH1002
AHOH1023

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 502
ChainResidue
ATYR361
BALA41
BCYS43
BCOA2005

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 503
ChainResidue
ACOA506
BTYR361
AALA41
ACYS43

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 504
ChainResidue
AHOH906
AHOH1267

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 505
ChainResidue
AASN85
AGLU87
AARG88
BHOH2242

site_idAC6
Number of Residues33
DetailsBINDING SITE FOR RESIDUE COA A 506
ChainResidue
AALA11
AALA14
ATHR15
ASER18
AGLN19
AARG22
ASER39
APHE40
AASN42
ACYS43
ALYS71
AALA295
AHIS299
ACL503
AFAD507
AHOH728
AHOH763
AHOH847
AHOH954
AHOH959
AHOH984
AHOH1024
AHOH1064
AHOH1091
AHOH1100
AHOH1222
AHOH1235
BPHE419
BPRO426
BLYS427
BMET432
BTYR435
BLYS436

site_idAC7
Number of Residues40
DetailsBINDING SITE FOR RESIDUE FAD A 507
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
ACOA506
AHOH601
AHOH602
AHOH604
AHOH611
AHOH613
AHOH614
AHOH630
AHOH640
AHOH650
BPHE419
BALA420
BPRO421

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 2001
ChainResidue
AHOH664
AHOH682
AHOH708
BHOH2219
BHOH2242

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 2002
ChainResidue
BHOH2359
AHOH780
AHOH959
AHOH1169
BHOH2292

site_idBC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 2003
ChainResidue
BTHR354
BHOH2317

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL B 2004
ChainResidue
AHOH708
AHOH1118
BASN85
BASP86
BGLU87
BARG88

site_idBC3
Number of Residues27
DetailsBINDING SITE FOR RESIDUE COA B 2005
ChainResidue
APHE419
APRO426
ALYS427
AMET432
ATYR435
ACL502
BALA11
BALA14
BTHR15
BSER18
BGLN19
BARG22
BSER39
BPHE40
BASN42
BCYS43
BTYR62
BLYS71
BALA295
BHIS299
BFAD2006
BHOH2263
BHOH2427
BHOH2513
BHOH2518
BHOH2638
BHOH2700

site_idBC4
Number of Residues41
DetailsBINDING SITE FOR RESIDUE FAD B 2006
ChainResidue
APHE419
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
BCOA2005
BHOH2118
BHOH2121
BHOH2122
BHOH2133
BHOH2135
BHOH2141
BHOH2144
BHOH2155
BHOH2162
BHOH2428

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
AGLN19
AARG22
ASER39
AASN42
ALYS71
AVAL151
ATHR267
AHIS299
APHE419
ALYS427
BGLY8
BTHR15
BGLN19
BARG22
BSER39
BASN42
BLYS71
BVAL151
BTHR267
BHIS299
BPHE419
BLYS427
AGLY8
ATHR15

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PDB entries from 2024-05-15

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