BioLiP

Structure of PDB 1gt3 Chain A Binding Site BS01

Receptor Information

>1gt3 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 ID

DHM

InChI

InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3/t9-/m0/s1

InChIKey

XSNQECSCDATQEL-VIFPVBQESA-N

SMILES

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	C[C@H](CCCC(C)(C)O)C=C
OpenEye OEToolkits 1.5.0	CC(CCCC(C)(C)O)C=C
CACTVS 3.341	C[CH](CCCC(C)(C)O)C=C
ACDLabs 10.04	OC(C)(C)CCCC(\C=C)C

Formula

C10 H20 O

Name

2,6-DIMETHYL-7-OCTEN-2-OL

PDB chain

1gt3 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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Structure summary

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PDB	1gt3 Crystal Structures of Bovine Odorant-Binding Protein in Complex with Odorant Molecules.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	F54 V69 N87
Binding residue (residue number reindexed from 1)	F54 V69 N87
Annotation score	1
Binding affinity	MOAD: Kd=0.35uM PDBbind-CN: -logKd/Ki=6.46,Kd=0.35uM

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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Cellular Component

PDB	RCSB:1gt3, PDBe:1gt3, PDBj:1gt3
PDBsum	1gt3
PubMed	15373829
UniProt	P07435\|OBP_BOVIN Odorant-binding protein