Structure of PDB 5dvv Chain B Binding Site BS02

Receptor Information

>5dvv Chain B (length=210) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SLTADQMVSALLDAEPPILYSEYSMMGLLTNLADRELVHMINWAKRVPGF
VDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDGMVEIF
DMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTDHIHRVLDKITDTLI
HLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLS
DLLLEMLDAH

Ligand information

Ligand ID

5G6

InChI

InChI=1S/C19H15NO2/c21-17-10-6-14(7-11-17)19(15-8-12-18(22)13-9-15)20-16-4-2-1-3-5-16/h1-13,21-22H

InChIKey

MGFIKZPNBCCIOL-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(cc1)N=C(c2ccc(cc2)O)c3ccc(cc3)O
CACTVS 3.385	Oc1ccc(cc1)C(=Nc2ccccc2)c3ccc(O)cc3
ACDLabs 12.01	Oc3ccc(\C(=N/c1ccccc1)c2ccc(O)cc2)cc3

Formula

C19 H15 N O2

Name

4,4'-(phenylcarbonimidoyl)diphenol

PDB chain

5dvv Chain B Residue 901 [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	5dvv Predictive features of ligand-specific signaling through the estrogen receptor.
Resolution	2.505 Å
Binding residue (original residue number in PDB)	M343 L346 T347 A350 E353 L387 G521 L525
Binding residue (residue number reindexed from 1)	M26 L29 T30 A33 E36 L70 G184 L188
Annotation score	1
Binding affinity	BindingDB: EC50=3.0nM

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:5dvv, PDBe:5dvv, PDBj:5dvv
PDBsum	5dvv
PubMed	27107013
UniProt	P03372\|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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