MolNFT v1 · #179660 · protein
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 2
7KCE · S-adenosylmethionine synthase isoform type-2: “Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric…”. X-ray diffraction, 3 ligands (J41, SAM, CL), 2 pockets (best druggability…
- PDB
- 7KCE
- Type
- protein
- Length
- 380 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S-adenosylmethionine synthase isoform type-2
- EC
- 2.5.1.6
- UniProt
- P31153
- Ligands
- J41, SAM, CL
- Pockets
- 2 · best druggability 0.36
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | S-adenosylmethionine synthase isoform type-2 (EC 2.5.1.6) | protein | 380 | 34% helix, 26% strand | P31153 |
Ligands and binding sites
- J41 · 5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one · ligand · chains A
- SAM · S-adenosylmethionine · ligand · chains A
- CL · Chloride ion · ion · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 87 | 0.36 | 0.76 | 19 | empty |
| 2 | 65 | 0.35 | 0.77 | 22 | empty |
Compared structures
- 7KCE · 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 7KCE · PDBe 7KCE · UniProt P31153
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