Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor agi-41998

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 26% strand (DSSP).

Ligands and binding sites

• SAM · S-adenosylmethionine · ligand · chains A
• 7UI · 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol · ligand · chains A
• MG · Magnesium ion · metal · 3 copies · chains A
• CL · Chloride ion · ion · chains A
• EDO · 1,2-ethanediol · additive · 4 copies · chains A
• GOL · Glycerol · additive · chains A
• 1PE · Pentaethylene glycol · 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

• 7RWH · 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 7RWH · PDBe 7RWH · UniProt P31153