Structure of PDB 4vhb Chain B Binding Site BS01

Receptor Information
>4vhb Chain B (length=137) Species: 61 (Vitreoscilla stercoraria) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDQQTINIIKATVPVLKEHGVTITTTFYKNLFAKHPEVRPLFLEQPKALA
MTVLAAAQNIENLPAILPAVKKIAVKHCQAGVAAAHYPIVGQELLGAIKE
VLGDAATDDILDAWGKAYGVIADVFIQVEADLYAQAV
Ligand information
Ligand IDSCN
InChIInChI=1S/CHNS/c2-1-3/h3H/p-1
InChIKeyZMZDMBWJUHKJPS-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(#N)[S-]
ACDLabs 10.04
CACTVS 3.341		[S-]C#N
FormulaC N S
NameTHIOCYANATE ION
ChEMBL
DrugBank
ZINC
PDB chain4vhb Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4vhb Anticooperative ligand binding properties of recombinant ferric Vitreoscilla homodimeric hemoglobin: a thermodynamic, kinetic and X-ray crystallographic study.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F28 F43 L57
Binding residue
(residue number reindexed from 1)		F27 F42 L49
Annotation score3
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:4vhb, PDBe:4vhb, PDBj:4vhb
PDBsum4vhb
PubMed10448042
UniProtP04252|BAHG_VITST Bacterial hemoglobin (Gene Name=vhb)

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