› 4um3

X-ray diffraction
2.7Å resolution

Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920

Released:
DOI: 10.2210/pdb4um3/pdb
PDB entry 4um3 coloured by chain, front view.
PDB entry 4um3 coloured by chain, side view.
PDB entry 4um3 coloured by chain, top view.
Source organism: Lymnaea stagnalis
Primary publication:
Acetylcholine-Binding Protein Engineered to Mimic the α4-α4 Binding Pocket in α4β2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity.
Shahsavar A, Ahring PK, Olsen JA, Krintel C, Kastrup JS, Balle T, Gajhede M
Mol Pharmacol 88 697-707 (2015)
PMID: 26180047

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
hetero pentamer (preferred)
homo pentamer
Assembly name:
PDBe Complex ID:
PDB-CPX-157651 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Acetylcholine-binding protein Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, Q, R, T, U, V, W, X, Y, Z, a, b, c, d, e, f, g, h, i, j, k, l, m, n
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, Q, R, T, U, V, W, X, Y, Z, a, b, c, d, e, f, g, h, i, j, k, l, m, n
Length: 229 amino acids
Theoretical weight: 26.05 KDa
Source organism: Lymnaea stagnalis
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P58154 (Residues: 1-229; Coverage: 100%)
Sequence domains: Neurotransmitter-gated ion-channel ligand binding domain
Structure domains: Neurotransmitter-gated ion-channel ligand-binding domain
Acetylcholine-binding protein Chain: P
Molecule details ›
Chain: P
Length: 228 amino acids
Theoretical weight: 25.94 KDa
Source organism: Lymnaea stagnalis
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P58154 (Residues: 1-229; Coverage: 100%)
Sequence domains: Neurotransmitter-gated ion-channel ligand binding domain
Structure domains: Neurotransmitter-gated ion-channel ligand-binding domain
Acetylcholine-binding protein Chain: S
Molecule details ›
Chain: S
Length: 229 amino acids
Theoretical weight: 26.05 KDa
Source organism: Lymnaea stagnalis
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P58154 (Residues: 1-229; Coverage: 100%)
Sequence domains: Neurotransmitter-gated ion-channel ligand binding domain
Structure domains: Neurotransmitter-gated ion-channel ligand-binding domain

Ligands and Environments

3 bound ligands:
Ligand 09R 40 x 09R
Ligand NAG 3 x NAG
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX II BEAMLINE I911-3
Spacegroup: P21
Unit cell:
a: 135.49Å b: 145.418Å c: 234.906Å
α: 90° β: 101.29° γ: 90°
R-values:
R R work R free
0.199 0.198 0.244
Expression system: Spodoptera frugiperda

Quick links

Citations

4 review citations

Nicotinic acetylcholine receptor inhibitors derived from snake and snail venoms.
Dutertre et al. (2017)
3 more

1 mention without citation

Understanding structure-function relationships of the human neuronal acetylcholine receptor: insights from the first crystal structures of neuronal subunits.
Giastas et al. (2018)