Structure of PDB 5ei1 Chain A Binding Site BS02

Receptor Information
>5ei1 Chain A (length=232) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LALSLTADQMVSALLDAEPPILYSEYDRPFSEASMMGLLTNLADRELVHM
INWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPN
LLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSG
VYTFEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRH
MSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHR
Ligand information
Ligand ID5OR
InChIInChI=1S/C13H9IN2O2/c14-13-12(8-1-3-9(17)4-2-8)15-11-6-5-10(18)7-16(11)13/h1-7,17-18H
InChIKeyYMNZZVKKQMNXQS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc(ccc1c2c(n3cc(ccc3n2)O)I)O
CACTVS 3.385Oc1ccc(cc1)c2nc3ccc(O)cn3c2I
FormulaC13 H9 I N2 O2
Name2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol
ChEMBL
DrugBank
ZINCZINC000584905036
PDB chain5ei1 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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PDB5ei1 Predictive features of ligand-specific signaling through the estrogen receptor.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		L346 E353 L387 M421 H524 L525
Binding residue
(residue number reindexed from 1)		L39 E46 L80 M114 H208 L209
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5ei1, PDBe:5ei1, PDBj:5ei1
PDBsum5ei1
PubMed27107013
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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