Structure of PDB 5dxq Chain B Binding Site BS02

Receptor Information
>5dxq Chain B (length=232) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRE
LVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLL
FAPNLLLDRNQGVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLN
SGVYTKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRH
MSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHR
Ligand information
Ligand ID5HZ
InChIInChI=1S/C22H24O2/c23-19-11-7-17(8-12-19)22(18-9-13-20(24)14-10-18)21-15-3-1-4-16(21)6-2-5-15/h7-16,23-24H,1-6H2/t15-,16+
InChIKeyHKDFNAQPYYZDPP-IYBDPMFKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(ccc1C(=C2C3CCCC2CCC3)c4ccc(cc4)O)O
CACTVS 3.385Oc1ccc(cc1)[C](c2ccc(O)cc2)=[C]3C4C[CH2]CC3CCC4
ACDLabs 12.01C1CCC\2CCCC1C/2=C(/c3ccc(O)cc3)c4ccc(cc4)O
FormulaC22 H24 O2
Name4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol
ChEMBL
DrugBank
ZINC
PDB chain5dxq 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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PDB5dxq Predictive features of ligand-specific signaling through the estrogen receptor.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		L346 T347 A350 E353
Binding residue
(residue number reindexed from 1)		L43 T44 A47 E50
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5dxq, PDBe:5dxq, PDBj:5dxq
PDBsum5dxq
PubMed27107013
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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