Structure of PDB 2vv2 Chain B Binding Site BS01

Receptor Information
>2vv2 Chain B (length=257) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKDKSPFVIYDMNSLMMG
EDKIKFKHITPLKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLN
DQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGD
FMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDN
LLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETP
LLQEIYK
Ligand information
Ligand ID5HE
InChIInChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m0/s1
InChIKeyFTAGQROYQYQRHF-CBVHGRPESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@@H](CCCC(=O)O)O
ACDLabs 10.04O=C(O)CCCC(O)/C=C/C=C\C\C=C/C\C=C/C\C=C/CC
CACTVS 3.341CCC=CCC=CCC=CCC=CC=C[CH](O)CCCC(O)=O
CACTVS 3.341CC\C=C/C/C=C\C\C=C/C/C=C\C=C\[C@H](O)CCCC(O)=O
OpenEye OEToolkits 1.5.0CCC=CCC=CCC=CCC=CC=CC(CCCC(=O)O)O
FormulaC20 H30 O3
Name(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid
ChEMBL
DrugBankDB07172
ZINCZINC000008860440
PDB chain2vv2 Chain B Residue 1476 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2vv2 Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Resolution2.75 Å
Binding residue
(original residue number in PDB)		I281 C285 R288 L340 I341 S342 E343
Binding residue
(residue number reindexed from 1)		I69 C73 R76 L128 I129 S130 E131
Annotation score1
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2vv2, PDBe:2vv2, PDBj:2vv2
PDBsum2vv2
PubMed19172745
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

[Back to BioLiP]