Structure of PDB 1rgv Chain A Binding Site BS01

Receptor Information
>1rgv Chain A (length=80) Species: 44139 (Thauera aromatica K172) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALYINDDCTACDACVEECPNEAITPGDPIYVIDPTKCSECVGAFDEPQCR
LVCPADCIPDNPDYRETREELQEKYDRLHG
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain1rgv Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rgv Crystallization of 4-hydroxybenzoyl-CoA reductase and the structure of its electron donor ferredoxin.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		C8 T9 A10 C11 D12 C14 Y30 C53 C57
Binding residue
(residue number reindexed from 1)		C8 T9 A10 C11 D12 C14 Y30 C53 C57
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:1rgv, PDBe:1rgv, PDBj:1rgv
PDBsum1rgv
PubMed14747735
UniProtO88151

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