Structure of PDB 1wtf Chain D Binding Site BS01

Receptor Information
>1wtf Chain D (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 IDF3S
InChIInChI=1S/3Fe.4S
InChIKeyFCXHZBQOKRZXKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385S1[Fe]S[Fe]2S[Fe]1S2
OpenEye OEToolkits 2.0.7S1[Fe]2S[Fe]3[S]2[Fe]1S3
FormulaFe3 S4
NameFE3-S4 CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain1wtf Chain D Residue 1004 [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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PDB1wtf Identification of variant molecules of Bacillus thermoproteolyticus ferredoxin: crystal structure reveals bound coenzyme A and an unexpected [3Fe-4S] cluster associated with a canonical [4Fe-4S] ligand motif
Resolution1.6 Å
Binding residue
(original residue number in PDB)		C11 I12 A13 C14 A16 C17 A33 C61 P62 T63
Binding residue
(residue number reindexed from 1)		C11 I12 A13 C14 A16 C17 A33 C61 P62 T63
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:1wtf, PDBe:1wtf, PDBj:1wtf
PDBsum1wtf
PubMed16156653
UniProtP10245|FER_BACTH Ferredoxin

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