Structure of PDB 1bwe Chain A Binding Site BS01

Receptor Information
>1bwe Chain A (length=77) Species: 1484 (Hydrogenibacillus schlegelii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYVITEPCIGTKCASCVEVCPVDCIHEGEDQYYIDPDVCIDCGACEAVCP
VSAIYHEDFVPEEWKSYIQKNRDFFKK
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 chain1bwe Chain A Residue 78 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bwe Solution structure of an artificial Fe8S8 ferredoxin: the D13C variant of Bacillus schlegelii Fe7S8 ferredoxin.
ResolutionN/A
Binding residue
(original residue number in PDB)		C8 C13 C16 Y32 C49 I54
Binding residue
(residue number reindexed from 1)		C8 C13 C16 Y32 C49 I54
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0046872 metal ion binding
GO:0051538 3 iron, 4 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:1bwe, PDBe:1bwe, PDBj:1bwe
PDBsum1bwe
PubMed9874217
UniProtQ45560|FER_HYDSH Ferredoxin 7Fe (Gene Name=fdxA)

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