Structure of PDB 8p1e Chain J Binding Site BS01

Receptor Information
>8p1e Chain J (length=204) Species: 6523 (Lymnaea stagnalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDV
VFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTP
QLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREI
SVDPTTENSDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLN
FRKK
Ligand information
Ligand IDWD2
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-1-2-15-9(7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2
InChIKeyGRKRSFCFKGOSNB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnc(cc1C(F)(F)F)N2CCNCC2
CACTVS 3.385FC(F)(F)c1ccnc(c1)N2CCNCC2
FormulaC10 H12 F3 N3
Name1-[4-(trifluoromethyl)pyridin-2-yl]piperazine
ChEMBL
DrugBank
ZINC
PDB chain8p1e Chain J Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8p1e Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K53 W72 M133 D179 Y183
Binding residue
(residue number reindexed from 1)		K34 W53 M114 D160 Y164
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0005216 monoatomic ion channel activity
GO:0005230 extracellular ligand-gated monoatomic ion channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8p1e, PDBe:8p1e, PDBj:8p1e
PDBsum8p1e
PubMed
UniProtP58154|ACHP_LYMST Acetylcholine-binding protein

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