› 4b5d

X-ray diffraction
2.2Å resolution

Capitella teleta AChBP in complex with psychonicline (3-((2(S)- Azetidinyl)methoxy)-5-((1S,2R)-2-(2-hydroxyethyl)cyclopropyl)pyridine)

Released:
DOI: 10.2210/pdb4b5d/pdb
PDB entry 4b5d coloured by chain, front view.
PDB entry 4b5d coloured by chain, side view.
PDB entry 4b5d coloured by chain, top view.
Source organism: Capitella teleta
Primary publication:
Insights into the structural determinants required for high-affinity binding of chiral cyclopropane-containing ligands to α4β2-nicotinic acetylcholine receptors: an integrated approach to behaviorally active nicotinic ligands.
Zhang HK, Eaton JB, Yu LF, Nys M, Mazzolari A, van Elk R, Smit AB, Alexandrov V, Hanania T, Sabath E, Fedolak A, Brunner D, Lukas RJ, Vistoli G, Ulens C, Kozikowski AP
J Med Chem 55 8028-37 (2012)
PMID: 22928944

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-125121 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Neurotransmitter-gated ion-channel ligand-binding domain-containing protein Chains: A, B, C, D, E
Molecule details ›
Chains: A, B, C, D, E
Length: 230 amino acids
Theoretical weight: 26.43 KDa
Source organism: Capitella teleta
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: I6L8L2 (Residues: 1-230; Coverage: 100%)
Sequence domains: Neurotransmitter-gated ion-channel ligand binding domain
Structure domains: Neurotransmitter-gated ion-channel ligand-binding domain

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
2 bound ligands:
Ligand SW4 5 x SW4
Ligand NAG 3 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 81.359Å b: 114.284Å c: 135.793Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.191 0.242
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Structural insights into Cys-loop receptor function and ligand recognition.
Nys et al. (2013)
2 more

3 mentions without citation

Recent developments in novel antidepressants targeting α4β2-nicotinic acetylcholine receptors.
Yu et al. (2014)
2 more