Structure of PDB 5dz1 Chain A Binding Site BS02

Receptor Information
>5dz1 Chain A (length=232) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADR
ELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKL
LFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSII
LLNSGVYDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIR
HMSNKGMEHLYSMKCNVVPLSDLLLEMLDAHR
Ligand information
Ligand ID5JY
InChIInChI=1S/C21H24O2/c1-2-15-3-5-16(6-4-15)21(17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h7-15,22-23H,2-6H2,1H3
InChIKeyLEZGCOYFXQAYPT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3
OpenEye OEToolkits 1.9.2CCC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1
ACDLabs 12.01Oc3ccc(/C(c1ccc(O)cc1)=C2/CCC(CC)CC2)cc3
FormulaC21 H24 O2
Name4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol
ChEMBLCHEMBL204739
DrugBank
ZINCZINC000013685644
PDB chain5dz1 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

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PDB5dz1 Predictive features of ligand-specific signaling through the estrogen receptor.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		L346 T347 A350 E353 L387 F404
Binding residue
(residue number reindexed from 1)		L44 T45 A48 E51 L85 F102
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5dz1, PDBe:5dz1, PDBj:5dz1
PDBsum5dz1
PubMed27107013
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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