Structure of PDB 1blu Chain A Binding Site BS01

Receptor Information
>1blu Chain A (length=80) Species: 1049 (Allochromatium vinosum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALMITDECINCDVCEPECPNGAISQGDETYVIEPSLCTECVGHYETSQCV
EVCPVDCIIKDPSHEETEDELRAKYERITG
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 chain1blu Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1blu Crystal structure of the 2[4Fe-4S] ferredoxin from Chromatium vinosum: evolutionary and mechanistic inferences for [3/4Fe-4S] ferredoxins.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		I4 C8 I9 C11 C14 Y30 C53 P54 C57 I58
Binding residue
(residue number reindexed from 1)		I4 C8 I9 C11 C14 Y30 C53 P54 C57 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:1blu, PDBe:1blu, PDBj:1blu
PDBsum1blu
PubMed8880900
UniProtP00208|FER_ALLVD Ferredoxin (Gene Name=fdx)

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