Glic-gabaar ALPHA1 chimera crystallized in complex with thdoc at PH4.5

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 33% strand (DSSP).

Ligands and binding sites

• A8Z · Tetrahydrodeoxycorticosterone · ligand · 5 copies · chains A, E, B, C, D
• CL · Chloride ion · ion · 2 copies · chains A, D
• ACT · Acetate ion · additive · 5 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, 18 with a druggability of 0.5 or more.

Interfaces

5 interfaces between chains.

• B–C · 2069 Ų buried · 14 hydrogen bonds · protein-protein
• A–B · 1997 Ų buried · 13 hydrogen bonds · protein-protein
• A–E · 1986 Ų buried · 13 hydrogen bonds · protein-protein
• C–D · 1962 Ų buried · 15 hydrogen bonds · protein-protein
• D–E · 1945 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

• 5OSB · GLIC-GABAAR alpha1 chimera crystallized in complex with THDOC at pH4.5 · the same entry in another collection · chain A against A, 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
• 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 P62812
• Elsewhere: RCSB PDB 5OSB · PDBe 5OSB · UniProt Q7NDN8 · UniProt P62812