Structure of PDB 2vv1 Chain A Binding Site BS01

Receptor Information
>2vv1 Chain A (length=256) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PESADLRALAKHLYDSYIKSFPLTKAKARAILTGTTDKSPFVIYDMNSLM
MGEDKIEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLK
YGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFE
FAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALEL
QLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLL
QEIYKD
Ligand information
Ligand ID4HD
InChIInChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18,21,23H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+/t21-/m1/s1
InChIKeyIFRKCNPQVIJFAQ-HBUOOPIGSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/C=C/[C@@H](O)CCC(O)=O
ACDLabs 10.04O=C(O)CCC(O)\C=C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
OpenEye OEToolkits 1.5.0CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@H](CCC(=O)O)O
CACTVS 3.341CCC=CCC=CCC=CCC=CCC=CC=C[CH](O)CCC(O)=O
OpenEye OEToolkits 1.5.0CCC=CCC=CCC=CCC=CCC=CC=CC(CCC(=O)O)O
FormulaC22 H32 O3
Name(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid
ChEMBL
DrugBankDB07111
ZINCZINC000028135475
PDB chain2vv1 Chain A Residue 1476 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vv1 Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Resolution2.2 Å
Binding residue
(original residue number in PDB)		F282 C285 Q286 S289 H323 L330 M364 H449 L469 Y473
Binding residue
(residue number reindexed from 1)		F63 C66 Q67 S70 H104 L111 M145 H230 L250 Y254
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2vv1, PDBe:2vv1, PDBj:2vv1
PDBsum2vv1
PubMed19172745
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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