"crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor agi-43192

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 26% strand (DSSP).

Ligands and binding sites

• SAM · S-adenosylmethionine · ligand · chains A
• 7UN · (8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one · ligand · chains A
• CL · Chloride ion · ion · chains A
• EDO · 1,2-ethanediol · additive · 5 copies · chains A
• GOL · Glycerol · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Compared structures

• 7RWG · Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM… · the same entry in another collection · chain A against A, TM-score 1.00
• P31153 · AlphaFold monomer V2.0 prediction for S-adenosylmethionine synthase isoform type-2… · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P31153
• Elsewhere: RCSB PDB 7RWG · PDBe 7RWG · UniProt P31153