Structure of PDB 1u9e Chain B Binding Site BS02

Receptor Information

>1u9e Chain B (length=228) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTKLADKELVHMISW
AKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVL
DRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMSS
RKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGM
EHLLNMKCKNVVPVYDLLLEMLNAHVLR

Ligand information

Ligand ID

397

InChI

InChI=1S/C14H10O3/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-8,15-16H

InChIKey

SNNNDCMXZYWCCI-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1c2cc3cc(ccc3o2)O)O
CACTVS 3.341	Oc1ccc(cc1)c2oc3ccc(O)cc3c2
ACDLabs 10.04	Oc3ccc(c2oc1ccc(O)cc1c2)cc3

Formula

C14 H10 O3

Name

2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL

PDB chain

1u9e Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1u9e Structure-Based Design Of Estrogen Receptor-beta Selective Ligands
Resolution	2.4 Å
Binding residue (original residue number in PDB)	E305 L339 H475 L476
Binding residue (residue number reindexed from 1)	E43 L77 H202 L203
Annotation score	1
Binding affinity	MOAD: ic50=5.7nM BindingDB: IC50=6nM

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:1u9e, PDBe:1u9e, PDBj:1u9e
PDBsum	1u9e
PubMed	15548008
UniProt	Q92731\|ESR2_HUMAN Estrogen receptor beta (Gene Name=ESR2)

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