Structure of PDB 4eqx Chain A

Receptor sequence
>4eqxA (length=437) Species: 367830 (Staphylococcus aureus subsp. aureus USA300) [Search protein sequence]
PKIVVVGAVAGGATCASQIRRLDKESDIIIFEKDRDMSFANSALPYVIGE
VVEDRRYALAYTPEKFYDRKQITVKTYHEVIAINDERQTVSVLNRKTNEQ
FEESYDKLILSPGASANSLGFESDITFTLRNLEDTDAIDQFIKANQVDKV
LVVGAGYVSLEVLENLYERGLHPTLIHRSDKINKLMDADMNQPILDELDK
REIPYRLNEEINAINGNEITFKSGKVEHYDMIIEGVGTHPNSKFIESSNI
KLDRKGFIPVNDKFETNVPNIYAIGDIATSHYRHVDLPASVPLAWGAHRA
ASIVAEQIAGNDTIEFKGFLGNNIVKFFDYTFASVGVKPNELKQFDYKMV
EVTQGAHANYYPGNSPLHLRVYYDTSNRQILRAAAVGKEGADKRIDVLSM
AMMNQLTVDELTEFEVAYAPPYSHPKDLINMIGYKAK
3D structure
PDB4eqx Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
ChainA
Resolution1.7 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) A11 N42 S43 T136 I139 D140 Y158 E162 H299
Catalytic site (residue number reindexed from 1) A10 N41 S42 T135 I138 D139 Y157 E161 H298
Enzyme Commision number 1.8.1.14: CoA-disulfide reductase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 FAD A V7 G8 V10 A11 G12 E33 K34 N42 S43 V81 S112 P113 G114 R131 Y158 V159 F245 G276 D277 P293 L294 A295 V6 G7 V9 A10 G11 E32 K33 N41 S42 V80 S111 P112 G113 R130 Y157 V158 F244 G275 D276 P292 L293 A294
BS02 FAD A Y419 A420 Y418 A419
Gene Ontology
Molecular Function
GO:0003756 protein disulfide isomerase activity
GO:0016491 oxidoreductase activity
GO:0050451 CoA-disulfide reductase (NADPH) activity
GO:0050660 flavin adenine dinucleotide binding
GO:0050661 NADP binding

View graph for
Molecular Function
External links
PDB RCSB:4eqx, PDBe:4eqx, PDBj:4eqx
PDBsum4eqx
PubMed22954034
UniProtQ2FIA5|CDR_STAA3 Coenzyme A disulfide reductase (Gene Name=cdr)

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