Structure of PDB 4l98 Chain B Binding Site BS01

Receptor Information
>4l98 Chain B (length=258) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESADLRALAKHLYDSYIKSFPLTKAKARAILTGTTDKSPFVIYDMNSLMM
GEDKIKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLK
YGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPLGDFMEPKFE
FAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALEL
QLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLL
QEIYKDLY
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)		Y473 Y477
Binding residue
(residue number reindexed from 1)		Y254 Y258
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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