› 7rwh

X-ray diffraction
1.17Å resolution

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

Released:
DOI: 10.2210/pdb7rwh/pdb
PDB entry 7rwh coloured by chain, front view.
PDB entry 7rwh coloured by chain, side view.
PDB entry 7rwh coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
Li M, Konteatis Z, Nagaraja N, Chen Y, Zhou S, Ma G, Gross S, Marjon K, Hyer ML, Mandley E, Lein M, Padyana AK, Jin L, Tong S, Peters R, Murtie J, Travins J, Medeiros M, Liu P, Frank V, Judd ET, Biller SA, Marks KM, Sui Z, Reznik SK
J Med Chem 65 4600-4615 (2022)
PMID: 35293760

Function and Biology Details

Reaction catalysed: 
ATP + L-methionine + H(2)O = phosphate + diphosphate + S-adenosyl-L-methionine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151916 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
S-adenosylmethionine synthase isoform type-2 Chain: A
Molecule details ›
Chain: A
Length: 396 amino acids
Theoretical weight: 43.81 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P31153 (Residues: 1-395; Coverage: 100%)
Gene names: AMS2, MAT2A, MATA2
Sequence domains:

Ligands and Environments

7 bound ligands:
Ligand SAM 1 x SAM
Ligand 7UI 1 x 7UI
Ligand EDO 4 x EDO
Ligand GOL 1 x GOL
Ligand 1PE 1 x 1PE
Ligand CL 1 x CL
Ligand MG 3 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: I222
Unit cell:
a: 68.56Å b: 94.11Å c: 116.69Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.115 0.114 0.134
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Translational significance of CDKN2A/B homozygous deletion in isocitrate dehydrogenase-mutant astrocytoma.
Fortin Ensign et al. (2023)
1 more