› 4um1

X-ray diffraction
2.83Å resolution

Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3573

Released:
DOI: 10.2210/pdb4um1/pdb
PDB entry 4um1 coloured by chain, front view.
PDB entry 4um1 coloured by chain, side view.
PDB entry 4um1 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

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
Molecule details ›
Chains: A, B, C, D, E
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

2 bound ligands:
Ligand 09P 5 x 09P
Ligand NAG 1 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P21212
Unit cell:
a: 77.328Å b: 123.104Å c: 127.45Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.193 0.231
Expression system: Spodoptera frugiperda

Quick links

Citations

5 review citations

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