Structure of PDB 1ir0 Chain A Binding Site BS01

Receptor Information
>1ir0 Chain A (length=81) Species: 1427 (Bacillus thermoproteolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKYTIVDKETCIACGACGAAAPDIYDYDEDGIAYVTLDDNQGIVEVPDIL
IDDMMDAFEGCPTDSIKVADEPFDGDPNKFE
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 chain1ir0 Chain A Residue 82 [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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PDB1ir0 Atomic resolution structures of oxidized [4Fe-4S] ferredoxin from Bacillus thermoproteolyticus in two crystal forms: systematic distortion of [4Fe-4S] cluster in the protein.
Resolution1.0 Å
Binding residue
(original residue number in PDB)		C11 I12 A13 C14 C17 A33 C61 P62 I66
Binding residue
(residue number reindexed from 1)		C11 I12 A13 C14 C17 A33 C61 P62 I66
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:1ir0, PDBe:1ir0, PDBj:1ir0
PDBsum1ir0
PubMed11827483
UniProtP10245|FER_BACTH Ferredoxin

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