Structure of PDB 5egv Chain B Binding Site BS02

Receptor Information
>5egv 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]
LSLTADQMVSALLDAEPPILYSEYDPTFSEASMMGLLTNLADRELVHMIN
WAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLL
LDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVY
TFEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHM
SNKGMEHLYSMKCKNVVPLSDLLLEMLDAHRL
Ligand information
Ligand ID5OS
InChIInChI=1S/C16H10Cl2O3/c17-15-5-9(19)1-3-11(15)13-7-21-8-14(13)12-4-2-10(20)6-16(12)18/h1-8,19-20H
InChIKeyXJYKKIXCQQOKHH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc(c(Cl)c1)c2cocc2c3ccc(O)cc3Cl
OpenEye OEToolkits 2.0.4c1cc(c(cc1O)Cl)c2cocc2c3ccc(cc3Cl)O
FormulaC16 H10 Cl2 O3
Name3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol
ChEMBLCHEMBL2332590
DrugBank
ZINCZINC000095590211
PDB chain5egv Chain B 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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PDB5egv Predictive features of ligand-specific signaling through the estrogen receptor.
Resolution2.863 Å
Binding residue
(original residue number in PDB)		L346 T347 E353 L387 M388 F404
Binding residue
(residue number reindexed from 1)		L37 T38 E44 L78 M79 F95
Annotation score1
Binding affinityBindingDB: EC50=266nM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5egv, PDBe:5egv, PDBj:5egv
PDBsum5egv
PubMed27107013
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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