Structure of PDB 1g85 Chain A Binding Site BS02

Receptor Information

>1g85 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
AHNINVDKHGQTTELTGLFVKLNVEDEDLEKFWKLTEDKGIDKKNVVNFL
ENENHPHPE

Ligand information

Ligand ID

3OL

InChI

InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m0/s1

InChIKey

VSMOENVRRABVKN-QMMMGPOBSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	CCCCC[C@H](C=C)O
CACTVS 3.370	CCCCC[CH](O)C=C
ACDLabs 12.01	OC(/C=C)CCCCC
OpenEye OEToolkits 1.7.6	CCCCCC(C=C)O
CACTVS 3.370	CCCCC[C@@H](O)C=C

Formula

C8 H16 O

Name

(3R)-oct-1-en-3-ol

PDB chain

1g85 Chain A Residue 1002 [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	1g85 The insect attractant 1-octen-3-ol is the natural ligand of bovine odorant-binding protein.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	T38 F56 T116
Binding residue (residue number reindexed from 1)	T38 F56 T116
Annotation score	1
Binding affinity	MOAD: Kd=3.3uM PDBbind-CN: -logKd/Ki=5.48,Kd=3.3uM

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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Cellular Component

External links

PDB	RCSB:1g85, PDBe:1g85, PDBj:1g85
PDBsum	1g85
PubMed	11114310
UniProt	P07435\|OBP_BOVIN Odorant-binding protein

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