Structure of GLUA2 ligand-binding domain (S1S2J-L504Y-N775S) in complex with glutamate and TDPAM01 at 1.6 a resolution.

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).

Ligands and binding sites

• GLU · Glutamic acid · ligand · 3 copies · chains A, B, C
• D45 · 6,6'-(ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2, 4-benzothiadiazine 1,1-dioxide) · ligand · 2 copies · chains A, B, C
• ZN · Zinc ion · metal · 23 copies · chains A, C, B
• CL · Chloride ion · ion · 3 copies · chains B, C
• SO4 · Sulfate ion · ion · chains C
• ACT · Acetate ion · additive · 8 copies · chains A, C, B
• GOL · Glycerol · additive · 2 copies · chains A, B, C

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

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

3 interfaces between chains.

• A–B · 1021 Ų buried · 8 hydrogen bonds · protein-protein
• A–C · 306 Ų buried · 7 hydrogen bonds · protein-protein
• B–C · 70 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

• 6HCH · Structure of GLUA2 ligand-binding domain (S1S2J-L504Y-N775S) in complex with glutamate… · the same entry in another collection · chain B against B, TM-score 1.00
• P19491 · AlphaFold monomer V2.0 prediction for glutamate receptor 2 (P19491) · a predicted model of the same protein · chain A against A, TM-score 0.98

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
• Elsewhere: RCSB PDB 6HCH · PDBe 6HCH · UniProt P19491