Structure of PDB 1gt1 Chain A Binding Site BS01

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 IDPRZ
InChIInChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3
InChIKeyUXFSPRAGHGMRSQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(c1nccnc1CC(C)C)C
OpenEye OEToolkits 1.5.0CC(C)Cc1c(nccn1)OC
CACTVS 3.341COc1nccnc1CC(C)C
FormulaC9 H14 N2 O
Name2-ISOBUTYL-3-METHOXYPYRAZINE
ChEMBLCHEMBL97355
DrugBankDB04512
ZINCZINC000000156517
PDB chain1gt1 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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PDB1gt1 Crystal Structures of Bovine Odorant-Binding Protein in Complex with Odorant Molecules.
Resolution1.71 Å
Binding residue
(original residue number in PDB)		T38 F89 N103 T116 E117
Binding residue
(residue number reindexed from 1)		T37 F88 N102 T115 E116
Annotation score1
Binding affinityMOAD: 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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Molecular Function
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Biological Process
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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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