Structure of PDB 5dlr Chain A Binding Site BS02

Receptor Information
>5dlr Chain A (length=233) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRE
LVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLL
FAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIIL
LNSGVYKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIR
HMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHR
Ligand information
Ligand ID5DJ
InChIInChI=1S/C20H16O2/c21-18-10-6-16(7-11-18)20(14-15-4-2-1-3-5-15)17-8-12-19(22)13-9-17/h1-14,21-22H
InChIKeyCKNFKDYCAQZYBQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)C=C(c2ccc(cc2)O)c3ccc(cc3)O
ACDLabs 12.01c1c(ccc(c1)O)C(c2ccc(O)cc2)=[C@H]c3ccccc3
CACTVS 3.385Oc1ccc(cc1)C(=Cc2ccccc2)c3ccc(O)cc3
FormulaC20 H16 O2
Name4,4'-(2-phenylethene-1,1-diyl)diphenol
ChEMBLCHEMBL415864
DrugBank
ZINCZINC000013492380
PDB chain5dlr Chain A Residue 601 [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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PDB5dlr Predictive features of ligand-specific signaling through the estrogen receptor.
Resolution2.26 Å
Binding residue
(original residue number in PDB)		L346 T347 A350 E353 L387 M421 I424 G521 L525
Binding residue
(residue number reindexed from 1)		L43 T44 A47 E50 L84 M118 I121 G206 L210
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5dlr, PDBe:5dlr, PDBj:5dlr
PDBsum5dlr
PubMed27107013
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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