Glic-gabaar ALPHA1 chimera crystallized in complex with pregnenolone sulfate at pH 4.5

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 34% strand (DSSP).

Ligands and binding sites

• A8W · Pregnenolone sulfate · ligand · 5 copies · chains A, B, C, D, E
• Y01 · Cholesterol hemisuccinate · ligand · 5 copies · chains A, E, B, C, D
• CL · Chloride ion · ion · 5 copies · chains A, B, C, D, E
• ACT · Acetate ion · additive · 8 copies · chains A, E, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Interfaces

5 interfaces between chains.

• B–C · 2110 Ų buried · 13 hydrogen bonds · protein-protein
• A–E · 2091 Ų buried · 12 hydrogen bonds · protein-protein
• C–D · 2079 Ų buried · 11 hydrogen bonds · protein-protein
• A–B · 2065 Ų buried · 14 hydrogen bonds · protein-protein
• D–E · 2038 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

• 5OSC · GLIC-GABAAR alpha1 chimera crystallized in complex with pregnenolone sulfate at pH 4.5 · the same entry in another collection · chain B against B, TM-score 1.00
• Q7NDN8 · AlphaFold monomer V2.0 prediction for proton-gated ion channel (Q7NDN8) · a predicted model of the same protein · chain A against A, TM-score 0.95
• P26048 · AlphaFold monomer V2.0 prediction for gamma-aminobutyric acid receptor subunit alpha-2… · a predicted model of the same protein · chain A against A, TM-score 0.91
• P62812 · AlphaFold monomer V2.0 prediction for gamma-aminobutyric acid receptor subunit alpha-1… · a predicted model of the same protein · chain A against A, TM-score 0.91

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q7NDN8
• Every structure of UniProt P26048
• Every structure of UniProt P62812
• Elsewhere: RCSB PDB 5OSC · PDBe 5OSC · UniProt Q7NDN8 · UniProt P26048 · UniProt P62812