› 3c79

X-ray diffraction
2.48Å resolution

Crystal structure of Aplysia californica AChBP in complex with the neonicotinoid imidacloprid

Released:
DOI: 10.2210/pdb3c79/pdb
PDB entry 3c79 coloured by chain, front view.
PDB entry 3c79 coloured by chain, side view.
PDB entry 3c79 coloured by chain, top view.
Source organism: Aplysia californica
Primary publication:
Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore.
Talley TT, Harel M, Hibbs RE, Radic Z, Tomizawa M, Casida JE, Taylor P
Proc Natl Acad Sci U S A 105 7606-11 (2008)
PMID: 18477694

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo pentamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-186694 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Neurotransmitter-gated ion-channel ligand-binding domain-containing protein Chains: A, B, C, D, E
Molecule details ›
Chains: A, B, C, D, E
Length: 227 amino acids
Theoretical weight: 25.85 KDa
Source organism: Aplysia californica
Expression system: Homo sapiens
UniProt:
  • Canonical: Q8WSF8 (Residues: 18-236; Coverage: 100%)
Sequence domains: Neurotransmitter-gated ion-channel ligand binding domain
Structure domains: Neurotransmitter-gated ion-channel ligand-binding domain

Ligands and Environments

2 bound ligands:
Ligand IM4 4 x IM4
Ligand IPA 3 x IPA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P212121
Unit cell:
a: 85.39Å b: 116.286Å c: 132.463Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.191 0.188 0.25
Expression system: Homo sapiens

Quick links

Citations

13 review citations

Neuroactive insecticides: targets, selectivity, resistance, and secondary effects.
Casida et al. (2013)
12 more

12 mentions without citation

Size matters in activation/inhibition of ligand-gated ion channels.
Du et al. (2012)
11 more