Crystal structure of GLUA2 A622T, con-ikot-ikot snail toxin, partial agonist ka and postitive modulator (R,R)-2B complex

Structure

x-ray diffraction · 5 distinct chains · 42% helix, 19% strand (DSSP).

Ligands and binding sites

• KAI · 3-(carboxymethyl)-4-isopropenylproline · ligand · 4 copies · chains A, B, C, D
• FWF · N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide · ligand · 2 copies · chains B, C, A, D
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, 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

13 interfaces between chains.

• A–B · 2639 Ų buried · 15 hydrogen bonds · protein-protein
• C–D · 2469 Ų buried · 14 hydrogen bonds · protein-protein
• A–D · 2075 Ų buried · 9 hydrogen bonds · protein-protein
• B–C · 2060 Ų buried · 7 hydrogen bonds · protein-protein
• A–E · 919 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 21 disulfide, 4 glycan (disulfide, N-glycosylation).

Compared structures

• 4U5B · Crystal structure of GluA2 A622T, con-ikot-ikot snail toxin, partial agonist KA and… · the same entry in another collection · chain F against F, TM-score 1.00
• P0CB20 · AlphaFold monomer V2.0 prediction for con-ikot-ikot (P0CB20) · a predicted model of the same protein · chain F against A, TM-score 0.96
• P19491 · AlphaFold monomer V2.0 prediction for glutamate receptor 2 (P19491) · a predicted model of the same protein · chain A against A, TM-score 0.74

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 P19491
• Every structure of UniProt P0CB20
• Elsewhere: RCSB PDB 4U5B · PDBe 4U5B · UniProt P19491 · UniProt P0CB20