Structure of PDB 4l98 Chain A Binding Site BS01

Receptor Information
>4l98 Chain A (length=244) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIEVAIRIFQ
GCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASL
MNKDGVLISEGQGFMTREFLKSLRKPLGDFMEPKFEFAVKFNALELDDSD
LAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFA
KLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Ligand information
Ligand IDLRG
InChIInChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1
InChIKeyTZTPJJNNACUQQR-FQEVSTJZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(Oc1ccc(cc1)c2ccccc2)Cc3ccccc3
CACTVS 3.341OC(=O)[C@H](Cc1ccccc1)Oc2ccc(cc2)c3ccccc3
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)Oc2ccc(cc2)c3ccccc3
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)c3ccccc3
CACTVS 3.341OC(=O)[CH](Cc1ccccc1)Oc2ccc(cc2)c3ccccc3
FormulaC21 H18 O3
Name(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
ChEMBLCHEMBL191275
DrugBankDB08121
ZINCZINC000013671695
PDB chain4l98 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4l98 Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		F282 C285 S289 H323 Y327 H449 L465 H466 P467 Q470
Binding residue
(residue number reindexed from 1)		F49 C52 S56 H90 Y94 H216 L232 H233 P234 Q237
Annotation score1
Binding affinityBindingDB: EC50=550nM
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:4l98, PDBe:4l98, PDBj:4l98
PDBsum4l98
PubMed25004973
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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