Structure of PDB 1gt4 Chain A Binding Site BS01

Receptor Information
>1gt4 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 IDUNA
InChIInChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
InChIKeyKMPQYAYAQWNLME-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=CCCCCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCC=O
FormulaC11 H22 O
NameUNDECANAL
ChEMBLCHEMBL1236576
DrugBankDB04093
ZINCZINC000001595727
PDB chain1gt4 Chain A Residue 1160 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gt4 Crystal Structures of Bovine Odorant-Binding Protein in Complex with Odorant Molecules.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		F36 F56 V69 Y83 N87 N103
Binding residue
(residue number reindexed from 1)		F36 F56 V69 Y83 N87 N103
Annotation score1
Binding affinityMOAD: Kd=0.3uM
PDBbind-CN: -logKd/Ki=6.52,Kd=0.3uM
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:1gt4, PDBe:1gt4, PDBj:1gt4
PDBsum1gt4
PubMed15373829
UniProtP07435|OBP_BOVIN Odorant-binding protein

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