Structure of PDB 3eun Chain A Binding Site BS01

Receptor Information
>3eun Chain A (length=81) Species: 1049 (Allochromatium vinosum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALMITDECINCDVCEPECPNGAISQGDETYVIEPSLCTECVGHYETSQCV
EVCPVDAIIKDPSHEETEDELRAKYERITGE
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 chain3eun 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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PDB3eun Insight into the protein and solvent contributions to the reduction potentials of [4Fe-4S]2+/+ clusters: crystal structures of the Allochromatium vinosum ferredoxin variants C57A and V13G and the homologous Escherichia coli ferredoxin.
Resolution1.05 Å
Binding residue
(original residue number in PDB)		I4 C8 I9 C11 D12 C14 Y30 C53 P54 I58
Binding residue
(residue number reindexed from 1)		I4 C8 I9 C11 D12 C14 Y30 C53 P54 I58
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:3eun, PDBe:3eun, PDBj:3eun
PDBsum3eun
PubMed19290553
UniProtP00208|FER_ALLVD Ferredoxin (Gene Name=fdx)

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