Structure of PDB 3kff Chain A Binding Site BS02

Receptor Information
>3kff Chain A (length=152) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LNVEKINGEWFSILLASDKREKIEEHGSMRVFVEHIHVLENSLAFKFHTV
IDGECSEIFLVADKTEKAGEYSVMYDGFNTFTILKTDYDNYIMFHLINEK
DGKTFQLMELYGRKADLNSDIKEKFVKLCEEHGIIKENIIDLTKTNRCLK
AR
Ligand information
Ligand IDZBT
InChIInChI=1S/C7H13NS/c1-3-6(2)7-8-4-5-9-7/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeySAWWKXMIPYUIBW-LURJTMIESA-N
SMILES
SoftwareSMILES
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CC[C@H](C)C1=NCCS1
CACTVS 3.352CC[CH](C)C1=NCCS1
OpenEye OEToolkits 1.7.0CCC(C)C1=NCCS1
FormulaC7 H13 N S
Name2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole;
2-sec-butyl-4,5-dihydrothiazole
ChEMBL
DrugBank
ZINCZINC000005924623
PDB chain3kff Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kff High resolution X-ray structures of mouse major urinary protein nasal isoform in complex with pheromones.
Resolution0.96 Å
Binding residue
(original residue number in PDB)		F54 F56 F90 E118
Binding residue
(residue number reindexed from 1)		F45 F47 F81 E109
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005009 insulin receptor activity
GO:0005515 protein binding
GO:0005550 pheromone binding
GO:0036094 small molecule binding
Biological Process
GO:0006112 energy reserve metabolic process
GO:0007005 mitochondrion organization
GO:0008286 insulin receptor signaling pathway
GO:0009060 aerobic respiration
GO:0010628 positive regulation of gene expression
GO:0010888 negative regulation of lipid storage
GO:0010907 positive regulation of glucose metabolic process
GO:0031649 heat generation
GO:0042593 glucose homeostasis
GO:0045475 locomotor rhythm
GO:0045721 negative regulation of gluconeogenesis
GO:0045834 positive regulation of lipid metabolic process
GO:0045892 negative regulation of DNA-templated transcription
GO:0051055 negative regulation of lipid biosynthetic process
GO:0051897 positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0061179 negative regulation of insulin secretion involved in cellular response to glucose stimulus
GO:0071396 cellular response to lipid
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3kff, PDBe:3kff, PDBj:3kff
PDBsum3kff
PubMed20509168
UniProtP11590|MUP4_MOUSE Major urinary protein 4 (Gene Name=Mup4)

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