MolNFT v1 · #174005 · protein
Crystal structure of MAT2A bound to allosteric inhibitor (compound 29)
7BHW · S-adenosylmethionine synthase isoform type-2: “Crystal structure of MAT2A bound to allosteric inhibitor (compound 29)”. X-ray diffraction, 2 ligands (TNW, SAM), 1 pocket (best druggability 0.32). MolNFT v1 #174005 on GenesisL1: 3D…
- PDB
- 7BHW
- 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
- TNW, SAM
- Pockets
- 1 · best druggability 0.32
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 | 380 | 33% helix, 26% strand | P31153 |
Ligands and binding sites
- TNW · 7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl) quinazolin-2-one · ligand · chains A
- SAM · S-adenosylmethionine · ligand · 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 | 58 | 0.32 | 0.77 | 18 | empty |
Compared structures
- 7BHW · Crystal structure of MAT2a bound to allosteric inhibitor (compound 29) · 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 7BHW · PDBe 7BHW · UniProt P31153
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