Structure of PDB 5dxp Chain A Binding Site BS02

Receptor Information
>5dxp Chain A (length=222) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLALSLTADQMVSALLDAEPPILYSEYDSMMGLLTNLADRELVHMINWAK
RVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDR
NQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYDHI
HRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHL
YSMKCKNVVPLSDLLLEMLDAH
Ligand information
Ligand ID5HX
InChIInChI=1S/C22H24O/c23-20-14-12-19(13-15-20)22(16-6-2-1-3-7-16)21-17-8-4-9-18(21)11-5-10-17/h1-3,6-7,12-15,17-18,23H,4-5,8-11H2/b22-21-/t17-,18+
InChIKeyOEIKGQLRHZSEKK-UCLBXIDTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O
ACDLabs 12.01C1C2CCCC(CC1)/C2=C(\c3ccc(O)cc3)c4ccccc4
CACTVS 3.385Oc1ccc(cc1)[C](c2ccccc2)=[C]3C4C[CH2]CC3CCC4
FormulaC22 H24 O
Name4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol
ChEMBL
DrugBank
ZINC
PDB chain5dxp 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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PDB5dxp Predictive features of ligand-specific signaling through the estrogen receptor.
Resolution2.201 Å
Binding residue
(original residue number in PDB)		L346 A350 E353 F404
Binding residue
(residue number reindexed from 1)		L34 A38 E41 F92
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5dxp, PDBe:5dxp, PDBj:5dxp
PDBsum5dxp
PubMed27107013
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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