Structure of PDB 2awy Chain B Binding Site BS01

Receptor Information
>2awy Chain B (length=133) Species: 881 (Nitratidesulfovibrio vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVLVKWSEDLANLPSIDTQHKRLVDYINDLYRAARRRDMDKAREVFDALK
NYAVEHFGYEERLFADYAYPEATRHKEIHRRFVETVLKWEKQLAAGDPEV
VMTTLRGLVDWLVNHIMKEDKKYEAYLRERGVS
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 chain2awy Chain B Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2awy Structural Basis for O(2) Sensing by the Hemerythrin-like Domain of a Bacterial Chemotaxis Protein: Substrate Tunnel and Fluxional N Terminus
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H23 H59 E63 H78 H82 H118 D123
Binding residue
(residue number reindexed from 1)		H20 H56 E60 H75 H79 H115 D120
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:2awy, PDBe:2awy, PDBj:2awy
PDBsum2awy
PubMed16866347
UniProtQ9REU3

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