Structure of PDB 2avk Chain A Binding Site BS02

Receptor Information
>2avk Chain A (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 IDFEA
InChIInChI=1S/2Fe.N3.O/c;;1-3-2;/q;+1;-1;
InChIKeyGTUZFHRZTDZJHZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Fe]O[Fe]N=[N+]=[N-]
OpenEye OEToolkits 1.5.0[N-]=[N+]=N[Fe]O[Fe]
FormulaFe2 N3 O
NameMONOAZIDO-MU-OXO-DIIRON
ChEMBL
DrugBank
ZINC
PDB chain2avk 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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PDB2avk Structural Basis for O(2) Sensing by the Hemerythrin-like Domain of a Bacterial Chemotaxis Protein: Substrate Tunnel and Fluxional N Terminus.
Resolution1.53 Å
Binding residue
(original residue number in PDB)		H23 L26 H59 F60 E63 H78 H82 L115 H118 D123
Binding residue
(residue number reindexed from 1)		H20 L23 H56 F57 E60 H75 H79 L112 H115 D120
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2avk, PDBe:2avk, PDBj:2avk
PDBsum2avk
PubMed16866347
UniProtQ9REU3

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