Structure of PDB 2yjd Chain A Binding Site BS02

Receptor Information
>2yjd Chain A (length=223) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTKLADKELVHMISW
AKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVL
DRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSSSR
KLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGME
HLLNMKCKNVVPVYDLLLEMLNA
Ligand information
Ligand IDYJD
InChIInChI=1S/C16H16N2O2/c1-11(2)20-16-17-14-5-3-4-6-15(14)18(16)12-7-9-13(19)10-8-12/h3-11,19H,1-2H3
InChIKeyIRWOSCQWORJIQP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01n2c1ccccc1n(c2OC(C)C)c3ccc(O)cc3
CACTVS 3.385CC(C)Oc1nc2ccccc2n1c3ccc(O)cc3
OpenEye OEToolkits 1.9.2CC(C)Oc1nc2ccccc2n1c3ccc(cc3)O
FormulaC16 H16 N2 O2
Name4-(2-PROPAN-2-YLOXYBENZIMIDAZOL-1-YL)PHENOL
ChEMBL
DrugBank
ZINCZINC000082165218
PDB chain2yjd Chain A Residue 1498 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2yjd Design and Structure of Stapled Peptides Binding to Estrogen Receptors.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		A302 E305 L339 F356 I373 I376 F377 L380 L476
Binding residue
(residue number reindexed from 1)		A40 E43 L77 F94 I111 I114 F115 L118 L202
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

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Molecular Function
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Biological Process
External links
PDB RCSB:2yjd, PDBe:2yjd, PDBj:2yjd
PDBsum2yjd
PubMed21612236
UniProtQ92731|ESR2_HUMAN Estrogen receptor beta (Gene Name=ESR2)

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