PDB Entry (2xz6)

Download

Visualizer: MichelaNGLo

PDB ID: 2xz6 Resolution: 3.14 Å Exp. Method: X-RAY DIFFRACTION
PMID: 21115477 DOI: 10.1074/jbc.M110.188730
Protein
Protein Name: Soluble acetylcholine receptor
Protein Class: SIGNALING PROTEIN
Uniprot ID/ACC: Q8WSF8 (Q8WSF8_APLCA) Organism: Aplysia californica
Gene Symbol: - Gene ID: 100533247
Pocket Descriptors
Volume: None Depth: None
Hydrophobicity: None Drug Score: None
Pocket Similarity: Calculate
Ligand
Ligand Name:   2-(TRIMETHYLAMMONIUM)ETHYL THIOL
HET ID:   ETM PubChem:   37851
DrugBank:   DB01803 ChEMBL:   CHEMBL136145
Canonical SMILES:   SCC[N+](C)(C)C
Standard InChI:   InChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1
Molecular Formula:   C5H14NS+ Mol. Weight:   120.23636 Heavy Atoms:   7
Charge:   1 Is Chiral:   False logP:   0.6224
HBD:   1 HBA:   1 TPSA:   38.8
#Bonds:   6 #Rotatable Bonds:   2 Shape Complexity:   1.0
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-