Structure of PDB 3vhb Chain A Binding Site BS02

Receptor Information
>3vhb Chain A (length=135) Species: 61 (Vitreoscilla stercoraria) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDQQTINIIKATVPVLKEHGVTITTTFYKNLFAKHPEVRPLFQPKALAMT
VLAAAQNIENLPAILPAVKKIAVKHCQAGVAAAHYPIVGQELLGAIKEVL
GDAATDDILDAWGKAYGVIADVFIQVEADLYAQAV
Ligand information
Ligand IDIMD
InChIInChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1
InChIKeyRAXXELZNTBOGNW-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.341[nH]1cc[nH+]c1
ACDLabs 10.04c1c[nH+]cn1
OpenEye OEToolkits 1.5.0c1c[nH+]c[nH]1
FormulaC3 H5 N2
NameIMIDAZOLE
ChEMBL
DrugBank
ZINC
PDB chain3vhb Chain A Residue 160 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vhb Anticooperative ligand binding properties of recombinant ferric Vitreoscilla homodimeric hemoglobin: a thermodynamic, kinetic and X-ray crystallographic study.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y29 L57
Binding residue
(residue number reindexed from 1)		Y28 L47
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005344 oxygen carrier activity
GO:0008941 nitric oxide dioxygenase NAD(P)H activity
GO:0019825 oxygen binding
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0071949 FAD binding
Biological Process
GO:0015671 oxygen transport
GO:0046210 nitric oxide catabolic process
GO:0071500 cellular response to nitrosative stress

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Molecular Function
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Biological Process
External links
PDB RCSB:3vhb, PDBe:3vhb, PDBj:3vhb
PDBsum3vhb
PubMed10448042
UniProtP04252|BAHG_VITST Bacterial hemoglobin (Gene Name=vhb)

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