Structure of PDB 1yqz Chain A

Receptor sequence

>1yqzA (length=437) Species: 1280 (Staphylococcus aureus)

PKIVVVGAVAGGATCASQIRRLDKESDIIIFEKDRDMSFANCALPYVIGE
VVEDRRYALAYTPEKFYDRKQITVKTYHEVIAINDERQTVSVLNRKTNEQ
FEESYDKLILSPGASANSLGFESDITFTLRNLEDTDAIDQFIKANQVDKV
LVVGAGYVSLEVLENLYERGLHPTLIHRSDKINKLMDADMNQPILDELDK
REIPYRLNEEINAINGNEITFKSGKVEHYDMIIEGVGTHPNSKFIESSNI
KLDRKGFIPVNDKFETNVPNIYAIGDIATSHYRHVDLPASVPLAWGAHRA
ASIVAEQIAGNDTIEFKGFLGNNIVKFFDYTFASVGVKPNELKQFDYKMV
EVTQGAHANYYPGNSPLHLRVYYDTSNRQILRAAAVGKEGADKRIDVLSM
AMMNQLTVDELTEFEVAYAPPYSHPKDLINMIGYKAK

3D structure

• PDB: 1yqz Structure of coenzyme A-disulfide reductase from Staphylococcus aureus at 1.54 A resolution.
• Chain: A
• Resolution: 1.54 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): A11 N42 C43 T136 I139 D140 Y158 E162 H299
• Catalytic site (residue number reindexed from 1): A10 N41 C42 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	CL	A	A41 C43	A40 C42
BS02	CL	A	N85 E87	N84 E86
BS03	COA	A	V10 T15 S18 Q19 R22 S39 F40 N42 C43 Y62 A295 H299	V9 T14 S17 Q18 R21 S38 F39 N41 C42 Y61 A294 H298
BS04	FAD	A	V7 G8 V10 A11 G12 F32 E33 K34 N42 C43 V81 S112 P113 G114 R131 Y158 V159 F245 G276 D277 P293 L294 A295	V6 G7 V9 A10 G11 F31 E32 K33 N41 C42 V80 S111 P112 G113 R130 Y157 V158 F244 G275 D276 P292 L293 A294
BS05	COA	A	P426 K427 M432	P425 K426 M431
BS06	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

External links

• PDB: RCSB:1yqz, PDBe:1yqz, PDBj:1yqz
• PDBsum: 1yqz
• PubMed: 16981688
• UniProt: O52582|CDR_STAA8 Coenzyme A disulfide reductase (Gene Name=cdr)