Structure of PDB 3waq Chain A Binding Site BS01

Receptor Information
>3waq Chain A (length=134) Species: 882 (Nitratidesulfovibrio vulgaris str. Hildenborough) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADVLVKWSEDLANLPSIDTQHKRLVDYINDLYRAARRRDMDKAREVFDAL
KNYAVEHFGYEERLFADYAYPEATRHKEIHRRFVETVLKWEKQLAAGDPE
VVMTTLRGLVDWLVNHEMKEDKKYEAYLRERGVS
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 chain3waq Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3waq Crystal structure, exogenous ligand binding, and redox properties of an engineered diiron active site in a bacterial hemerythrin
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H23 H59 E63 H78 H82 H118 E119 D123
Binding residue
(residue number reindexed from 1)		H21 H57 E61 H76 H80 H116 E117 D121
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3waq, PDBe:3waq, PDBj:3waq
PDBsum3waq
PubMed24187962
UniProtQ726F3

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