Structure of PDB 1hn2 Chain A Binding Site BS01

Receptor Information
>1hn2 Chain A (length=159) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQEEEAEQNLSELSGPWRTVYIGSTNPEKIQENGPFRTYFRELVFDDEKG
TVDFYFSVKRDGKWKNVHVKATKQDDGTYVADYEGQNVFKIVSLSRTHLV
AHNINVDKHGQTTELTELFVKLNVEDEDLEKFWKLTEDKGIDKKNVVNFL
ENENHPHPE
Ligand information
Ligand IDANC
InChIInChI=1S/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2
InChIKeyYUENFNPLGJCNRB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04c3cc2cc1cccc(N)c1cc2cc3
OpenEye OEToolkits 1.5.0c1ccc2cc3c(cccc3N)cc2c1
CACTVS 3.341Nc1cccc2cc3ccccc3cc12
FormulaC14 H11 N
NameANTHRACEN-1-YLAMINE;
AMINOANTHRACENE
ChEMBLCHEMBL82321
DrugBankDB01976
ZINCZINC000001689948
PDB chain1hn2 Chain A Residue 3001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hn2 The insect attractant 1-octen-3-ol is the natural ligand of bovine odorant-binding protein.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T1038 F1056 F1089 N1103 T1116
Binding residue
(residue number reindexed from 1)		T38 F56 F89 N103 T116
Annotation score1
Binding affinityMOAD: Kd=1uM
PDBbind-CN: -logKd/Ki=6.00,Kd=1.0uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005549 odorant binding
GO:0036094 small molecule binding
Biological Process
GO:0007608 sensory perception of smell
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1hn2, PDBe:1hn2, PDBj:1hn2
PDBsum1hn2
PubMed11114310
UniProtP07435|OBP_BOVIN Odorant-binding protein

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