› 3zdg

X-ray diffraction
2.48Å resolution

Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC)

Released:
DOI: 10.2210/pdb3zdg/pdb
PDB entry 3zdg coloured by chain, front view.
PDB entry 3zdg coloured by chain, side view.
PDB entry 3zdg coloured by chain, top view.
Source organism: Lymnaea stagnalis
Primary publication:
Synthesis, pharmacology, and biostructural characterization of novel α4β2 nicotinic acetylcholine receptor agonists.
Ussing CA, Hansen CP, Petersen JG, Jensen AA, Rohde LA, Ahring PK, Nielsen EØ, Kastrup JS, Gajhede M, Frølund B, Balle T
J Med Chem 56 940-51 (2013)
PMID: 23256554

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-157653 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acetylcholine-binding protein Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T
Length: 210 amino acids
Theoretical weight: 23.86 KDa
Source organism: Lymnaea stagnalis
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P58154 (Residues: 20-229; Coverage: 100%)
Sequence domains: Neurotransmitter-gated ion-channel ligand binding domain
Structure domains: Neurotransmitter-gated ion-channel ligand-binding domain

Ligands and Environments

5 bound ligands:
Ligand XRX 20 x XRX
Ligand SO4 20 x SO4
Ligand NAG 3 x NAG
Ligand PEG 1 x PEG
Ligand 1PE 1 x 1PE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX II BEAMLINE I911-2
Spacegroup: P21
Unit cell:
a: 123.73Å b: 144.88Å c: 139.03Å
α: 90° β: 107.9° γ: 90°
R-values:
R R work R free
0.175 0.173 0.221
Expression system: Spodoptera frugiperda

Quick links

Citations

2 review citations

Structural Studies of Nicotinic Acetylcholine Receptors: Using Acetylcholine-Binding Protein as a Structural Surrogate.
Shahsavar et al. (2016)
1 more

4 mentions without citation

Structural and functional studies of the modulator NS9283 reveal agonist-like mechanism of action at α4β2 nicotinic acetylcholine receptors.
Olsen et al. (2014)
3 more