Structure of PDB 2vpw Chain B Binding Site BS02

Receptor Information
>2vpw Chain B (length=193) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPRYAMAIDLSLCVGCAACAVACKMENEVPPGVFNLWIREREVGEYPNLV
VEFRPEQCLHCENPPCVPVCPTGASYQTKDGLVLVDPKKCIACGACIAAC
PYDARYLHPAGYVSKCTFCAHRLEKGKVPACVETCPTYCRTFGDLEDPES
PVAKALKAAERVDVLRPEQGTRPKLFYLNAPSKKGLTRESEVH
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 chain2vpw Chain B Residue 1195 [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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PDB2vpw Molecular Mechanism of Energy Conservation in Polysulfide Respiration.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		C23 N27 L36 C116 F118 C119 P129 C131
Binding residue
(residue number reindexed from 1)		C23 N27 L36 C116 F118 C119 P129 C131
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
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:2vpw, PDBe:2vpw, PDBj:2vpw
PDBsum2vpw
PubMed18536726
UniProtQ72LA5

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