Structure of PDB 4jyh Chain A Binding Site BS02

Receptor Information
>4jyh Chain A (length=239) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYEMTAELDDLTEKIRKAHQETFPSLCQLGKYTTNSSADHRVRLDLGLWD
KFSELATKCIIKIVEFAKRLPGFTGLTIADQITLLKAACLDILILRICTR
YTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFTFANQLLPLEMDDTET
GLLSAICLICGDRQDLEEPTKVDKLQEPLLEALKIYIRKRRPSKPHMFPK
ILMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMME
Ligand information
Ligand IDJYH
InChIInChI=1S/C24H17NO3/c26-23(25-20-13-11-18(12-14-20)24(27)28)19-10-9-17-7-4-8-21(22(17)15-19)16-5-2-1-3-6-16/h1-15H,(H,25,26)(H,27,28)
InChIKeyBVFVCDJTSNPOPW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2cccc3c2cc(cc3)C(=O)Nc4ccc(cc4)C(=O)O
CACTVS 3.370OC(=O)c1ccc(NC(=O)c2ccc3cccc(c4ccccc4)c3c2)cc1
ACDLabs 12.01O=C(Nc1ccc(cc1)C(=O)O)c4cc3c(c2ccccc2)cccc3cc4
FormulaC24 H17 N O3
Name4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid
ChEMBL
DrugBank
ZINCZINC000098209058
PDB chain4jyh 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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PDB4jyh An Unexpected Mode Of Binding Defines BMS948 as A Full Retinoic Acid Receptor beta (RAR beta , NR1B2) Selective Agonist.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		F221 L224 A225 C228 L259 L262 I263 I266 F279 S280 F295 V388
Binding residue
(residue number reindexed from 1)		F52 L55 A56 C59 L90 L93 I94 I97 F110 S111 F126 V219
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
GO:0048384 retinoic acid receptor signaling pathway
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:4jyh, PDBe:4jyh, PDBj:4jyh
PDBsum4jyh
PubMed25933005
UniProtP10826|RARB_HUMAN Retinoic acid receptor beta (Gene Name=RARB)

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