Crystal structure of human glutamine synthetase in complex with ADP and methionine sulfoximine phosphate

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 25% strand (DSSP).

Ligands and binding sites

• ADP · Adenosine-5'-diphosphate · ligand · 10 copies · chains A, E, B, C, D, F, J, G, H, I
• P3S · L-methionine-S-sulfoximine phosphate · ligand · 10 copies · chains A, E, B, C, D, F, J, G, H, I
• MN · Manganese (II) ion · metal · 30 copies · chains A, B, C, D, E, F, G, H, I, J
• CL · Chloride ion · ion · 10 copies · chains A, E, B, C, D, F, J, G, H, I

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

20 interfaces between chains.

• C–D · 2036 Ų buried · 45 hydrogen bonds · protein-protein
• D–E · 2032 Ų buried · 46 hydrogen bonds · protein-protein
• B–C · 2031 Ų buried · 45 hydrogen bonds · protein-protein
• A–E · 2029 Ų buried · 45 hydrogen bonds · protein-protein
• A–B · 2029 Ų buried · 45 hydrogen bonds · protein-protein

Compared structures

• 2QC8 · Crystal structure of human glutamine synthetase in complex with ADP and methionine… · the same entry in another collection · chain H against H, TM-score 1.00
• P15104 · AlphaFold monomer V2.0 prediction for glutamine synthetase (P15104) · a predicted model of the same protein · chain B against A, TM-score 1.00

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 P15104
• Elsewhere: RCSB PDB 2QC8 · PDBe 2QC8 · UniProt P15104