Structure of PDB 5dzh Chain B Binding Site BS02

Receptor Information
>5dzh Chain B (length=235) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADREL
VHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLF
APNLLLDRNQEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGV
YTFKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSH
IRHMSNKGMEHLYSMKCKVPLSDLLLEMLDAHRLH
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 B Residue 901 [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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PDB5dzh Predictive features of ligand-specific signaling through the estrogen receptor.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		L346 T347 E353 L387 F404 M421 F425 L525
Binding residue
(residue number reindexed from 1)		L42 T43 E49 L83 F100 M113 F117 L212
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)

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