MolNFT v1 · #112971 · protein
The structure of human MAT2A in complex with SAM, adenosine, methionine and ppnp.
5A1I · S-adenosylmethionine synthase isoform type-2: “The structure of human MAT2A in complex with SAM, adenosine, methionine and ppnp.”. X-ray diffraction, 6 ligands (MET, PPK, SAM), 1 pocket (best druggability 0.30). MolNFT v1 #112971 on…
- PDB
- 5A1I
- Type
- protein
- Length
- 381 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
- MET, PPK, SAM, ADN, MG, K
- Pockets
- 1 · best druggability 0.30
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | S-adenosylmethionine synthase isoform type-2 (EC 2.5.1.6) | protein | 381 | 33% helix, 26% strand | P31153 |
Ligands and binding sites
- MET · Methionine · ligand · chains A
- PPK · (diphosphono)aminophosphonic acid · ligand · chains A
- SAM · S-adenosylmethionine · ligand · chains A
- ADN · Adenosine · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- K · Potassium ion · metal · 2 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- EDO · 1,2-ethanediol · additive
- PG4 · Tetraethylene glycol · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 52 | 0.30 | 0.76 | 15 | empty |
Compared structures
- 5A1I · The structure of Human MAT2A in complex with SAM, Adenosine, Methionine and PPNP. · 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 5A1I · PDBe 5A1I · UniProt P31153
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