Structure of PDB 6mcz Chain B Binding Site BS01

Receptor Information
>6mcz 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 IDACD
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
InChIKeyYZXBAPSDXZZRGB-DOFZRALJSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCC/C=C\C\C=C/C/C=C\C\C=C/CCCC(O)=O
ACDLabs 10.04O=C(O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
OpenEye OEToolkits 1.5.0CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
OpenEye OEToolkits 1.5.0CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O
CACTVS 3.341CCCCCC=CCC=CCC=CCC=CCCCC(O)=O
FormulaC20 H32 O2
NameARACHIDONIC ACID
ChEMBLCHEMBL15594
DrugBankDB04557
ZINCZINC000004474696
PDB chain6mcz Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6mcz Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		C285 R288 I341 S342 E343
Binding residue
(residue number reindexed from 1)		C73 R76 I129 S130 E131
Annotation score4
Binding affinityBindingDB: IC50=1600nM
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:6mcz, PDBe:6mcz, PDBj:6mcz
PDBsum6mcz
PubMed30575522
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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