Structure of PDB 5dzh Chain A Binding Site BS02

Receptor Information
>5dzh Chain A (length=235) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRE
LVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLL
FAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIIL
LNSGVYTKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHI
RHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHRL
Ligand information
Ligand ID5KG
InChIInChI=1S/C21H24O3/c22-14-13-15-1-3-16(4-2-15)21(17-5-9-19(23)10-6-17)18-7-11-20(24)12-8-18/h5-12,15,22-24H,1-4,13-14H2
InChIKeyYQPOGTYYEGSNFP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OCC[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3
OpenEye OEToolkits 1.9.2c1cc(ccc1C(=C2CCC(CC2)CCO)c3ccc(cc3)O)O
ACDLabs 12.01c1c(ccc(c1)O)/C(c2ccc(cc2)O)=C3\CCC(CC3)CCO
FormulaC21 H24 O3
Name4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol
ChEMBLCHEMBL205232
DrugBank
ZINCZINC000013685663
PDB chain5dzh Chain A Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5dzh Predictive features of ligand-specific signaling through the estrogen receptor.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		T347 A350 E353 L387 F404 M421 L525
Binding residue
(residue number reindexed from 1)		T44 A47 E50 L84 F101 M118 L211
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5dzh, PDBe:5dzh, PDBj:5dzh
PDBsum5dzh
PubMed27107013
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

[Back to BioLiP]