Structure of PDB 1gt1 Chain A Binding Site BS02

Receptor Information
>1gt1 Chain A (length=158) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QEEEAEQNLSELSGPWRTVYIGSTNPEKIQENGPFRTYFRELVFDDEKGT
VDFYFSVKRDGKWKNVHVKATKQDDGTYVADYEGQNVFKIVSLSRTHLVA
HNINVDKHGQTTELTELFVKLNVEDEDLEKFWKLTEDKGIDKKNVVNFLE
NENHPHPE
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 chain1gt1 Chain A Residue 1161 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gt1 Crystal Structures of Bovine Odorant-Binding Protein in Complex with Odorant Molecules.
Resolution1.71 Å
Binding residue
(original residue number in PDB)		T38 F56 N103 T116
Binding residue
(residue number reindexed from 1)		T37 F55 N102 T115
Annotation score1
Binding affinityMOAD: Kd=1uM
PDBbind-CN: -logKd/Ki=6.00,Kd=1uM
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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Cellular Component
External links
PDB RCSB:1gt1, PDBe:1gt1, PDBj:1gt1
PDBsum1gt1
PubMed15373829
UniProtP07435|OBP_BOVIN Odorant-binding protein

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