Structure of PDB 6pdz Chain B Binding Site BS02

Receptor Information
>6pdz Chain B (length=262) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDM
NSLMMGEDKKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQV
TLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFME
PKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQ
ALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSL
HPLLQEIYKDLY
Ligand information
Ligand IDEEY
InChIInChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)
InChIKeyFRPJSHKMZHWJBE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C(Nc1ccncc1)(c2c(ccc(c2)[N+](=O)[O-])Cl)=O
OpenEye OEToolkits 2.0.6c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc2)Cl
CACTVS 3.385[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccncc2
FormulaC12 H8 Cl N3 O3
Name2-chloro-5-nitro-N-(pyridin-4-yl)benzamide
ChEMBLCHEMBL510698
DrugBank
ZINCZINC000000003381
PDB chain6pdz 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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PDB6pdz A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		I281 F282 C285 Q286 H323 F363 K367 H449 Y473 L476 Y477
Binding residue
(residue number reindexed from 1)		I66 F67 C70 Q71 H108 F148 K152 H234 Y258 L261 Y262
Annotation score1
Binding affinityBindingDB: IC50=1000nM
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:6pdz, PDBe:6pdz, PDBj:6pdz
PDBsum6pdz
PubMed32075969
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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