Structure of PDB 5eit Chain B Binding Site BS02

Receptor Information
>5eit Chain B (length=235) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELV
HMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFA
PNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLN
SGVYTEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIR
HMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHRLH
Ligand information
Ligand ID5P1
InChIInChI=1S/C14H9F3N2O2/c15-14(16,17)13-12(8-1-3-9(20)4-2-8)18-11-6-5-10(21)7-19(11)13/h1-7,20-21H
InChIKeyTYELSYJDLCJDAI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1)c2nc3ccc(O)cn3c2C(F)(F)F
OpenEye OEToolkits 2.0.4c1cc(ccc1c2c(n3cc(ccc3n2)O)C(F)(F)F)O
FormulaC14 H9 F3 N2 O2
Name2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol
ChEMBL
DrugBank
ZINCZINC000584904925
PDB chain5eit 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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PDB5eit Predictive features of ligand-specific signaling through the estrogen receptor.
Resolution2.68 Å
Binding residue
(original residue number in PDB)		L346 E353 L387 M421 H524 L525
Binding residue
(residue number reindexed from 1)		L41 E48 L82 M116 H209 L210
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5eit, PDBe:5eit, PDBj:5eit
PDBsum5eit
PubMed27107013
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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