Structure of PDB 8p1e Chain I Binding Site BS01

Receptor Information
>8p1e Chain I (length=201) Species: 6523 (Lymnaea stagnalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDV
VFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTP
QLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREI
SVDPTDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLNFRKK
G
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
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		W162 Y204 C206 Y211
Binding residue
(residue number reindexed from 1)		W143 Y181 C183 Y188
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

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

[Back to BioLiP]