Structure of PDB 3et2 Chain A Binding Site BS02

Receptor Information
>3et2 Chain A (length=266) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VADLKAFSKHIYNAYLKNFNMTKKKARSILTGKASHTAPFVIHDIETLWQ
AEKGLVWVNGLPPYKEISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLF
LNDQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPF
SDIIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQ
DTILRALEFHLQANHPDAQYLFPKLLQKMADLRQLVTEHAQMMQRIKKTE
TETSLHPLLQEIYKDM
Ligand information
Ligand ID1BO
InChIInChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChIKeyLRHPLDYGYMQRHN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCO
ACDLabs 10.04OCCCC
FormulaC4 H10 O
Name1-BUTANOL;
BUTAN-1-OL
ChEMBLCHEMBL14245
DrugBankDB02145
ZINCZINC000001530354
PDB chain3et2 Chain A Residue 6 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3et2 Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Resolution2.24 Å
Binding residue
(original residue number in PDB)		L219 W220
Binding residue
(residue number reindexed from 1)		L48 W49
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004879 nuclear receptor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3et2, PDBe:3et2, PDBj:3et2
PDBsum3et2
PubMed19116277
UniProtQ03181|PPARD_HUMAN Peroxisome proliferator-activated receptor delta (Gene Name=PPARD)

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