Structure of PDB 5egv Chain A Binding Site BS02

Receptor Information
>5egv Chain A (length=229) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSLALSLTADQMVSALLDAEPPILYSEFSEASMMGLLTNLADRELVHMIN
WAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLL
LDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVY
TEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSN
KGMEHLYSMKCKNVVPLSDLLLEMLDAHR
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 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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PDB5egv Predictive features of ligand-specific signaling through the estrogen receptor.
Resolution2.863 Å
Binding residue
(original residue number in PDB)		L346 T347 L349 A350 E353 L387 M388
Binding residue
(residue number reindexed from 1)		L37 T38 L40 A41 E44 L78 M79
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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