Structure of PDB 3mps Chain B Binding Site BS01

Receptor Information
>3mps Chain B (length=170) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVKRTMTKKFLEEAFAGESMAHMRYLIFAEKAEQEGFPNIAKLFRAIAYA
EFVHAKNHFIALGKLGKTPENLQMGIEGETFEVEEMYPVYNKAAEFQGEK
EAVRTTHYALEAEKIHAELYRKAKEKAEKGEDIEIKKVYICPICGYTAVD
EAPEYCPVCGAPKEKFVVFE
Ligand information
Ligand IDFEO
InChIInChI=1S/2Fe.O
InChIKeyNPMYUMBHPJGBFA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Fe]O[Fe]
OpenEye OEToolkits 1.5.0O([Fe])[Fe]
FormulaFe2 O
NameMU-OXO-DIIRON
ChEMBL
DrugBank
ZINC
PDB chain3mps Chain A Residue 173 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mps A cryo-crystallographic time course for peroxide reduction by rubrerythrin from Pyrococcus furiosus.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E19 E52
Binding residue
(residue number reindexed from 1)		E18 E51
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3mps, PDBe:3mps, PDBj:3mps
PDBsum3mps
PubMed21647777
UniProtQ9UWP7

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