Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 9

Structure

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

Ligands and binding sites

• SAM · S-adenosylmethionine · ligand · chains A
• 7UB · (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one · ligand · chains A
• CL · Chloride ion · ion · 2 copies · chains A
• EDO · 1,2-ethanediol · additive · 4 copies · chains A
• PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

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

Compared structures

• 7RW7 · 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 7RW7 · PDBe 7RW7 · UniProt P31153