MolNFT v1 · #78927 · protein
Methionine-adenosyltransferase from entamoeba histolytica
3SO4: “Methionine-adenosyltransferase from entamoeba histolytica”. X-ray diffraction, 12 pockets (best druggability 0.69). MolNFT v1 #78927 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3SO4
- Type
- protein
- Length
- 1,516 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methionine-adenosyltransferase
- EC
- 2.5.1.6
- UniProt
- C4M272
- Pockets
- 12 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 30% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Methionine-adenosyltransferase (EC 2.5.1.6) | protein | 379 | 30% helix, 26% strand | C4M272 |
| C | Methionine-adenosyltransferase (EC 2.5.1.6) | protein | 379 | 30% helix, 26% strand | C4M272 |
| D | Methionine-adenosyltransferase (EC 2.5.1.6) | protein | 379 | 30% helix, 26% strand | C4M272 |
Ligands and binding sites
- ACT · Acetate ion · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 442 | 0.69 | 0.81 | 51 | ACT |
| 2 | 449 | 0.68 | 0.80 | 55 | empty |
| 3 | 490 | 0.68 | 0.79 | 62 | ACT |
| 4 | 256 | 0.68 | 0.84 | 29 | empty |
| 5 | 386 | 0.66 | 0.80 | 41 | ACT |
Interfaces
6 interfaces between chains.
- A–B · 2504 Ų buried · 36 hydrogen bonds · protein-protein
- C–D · 2487 Ų buried · 26 hydrogen bonds · protein-protein
- A–D · 455 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 433 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 418 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3SO4 · Methionine-adenosyltransferase from Entamoeba histolytica · the same entry in another collection · chain A against A, TM-score 1.00
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 C4M272
- Elsewhere: RCSB PDB 3SO4 · PDBe 3SO4 · UniProt C4M272
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