› 6qqo

X-ray diffraction
2.5Å resolution

Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (3)

Released:
DOI: 10.2210/pdb6qqo/pdb
PDB entry 6qqo coloured by chain, front view.
PDB entry 6qqo coloured by chain, side view.
PDB entry 6qqo coloured by chain, top view.
Source organism: Aplysia californica
Primary publication:
Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors
Bueno RV, Davis S, Dawson A, Ondachi PW, Carroll FI, Hunter WN
Acta Crystallogr. D Biol. Crystallogr. 78 (2022)

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, F, G, H, I, J
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J
Length: 249 amino acids
Theoretical weight: 28.33 KDa
Source organism: Aplysia californica
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q8WSF8 (Residues: 1-236; Coverage: 100%)
Sequence domains: Neurotransmitter-gated ion-channel ligand binding domain

Ligands and Environments

4 bound ligands:
Ligand JC8 10 x JC8
Ligand PO4 15 x PO4
Ligand EDO 42 x EDO
Ligand NAG 10 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: C2
Unit cell:
a: 209.826Å b: 134.06Å c: 131.719Å
α: 90° β: 102.56° γ: 90°
R-values:
R R work R free
0.194 0.193 0.212
Expression system: Spodoptera frugiperda

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