MolNFT v1 · #160804 · protein
Homoserine transacetylase metx from mycobacterium tuberculosis
6PUX · Homoserine O-acetyltransferase: “Homoserine transacetylase metx from mycobacterium tuberculosis”. X-ray diffraction, 3 ligands (MG, SO4, CL), 7 pockets (best druggability 0.68). MolNFT v1 #160804 on GenesisL1: 3D structure, binding…
- PDB
- 6PUX
- Type
- protein
- Length
- 731 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Homoserine O-acetyltransferase
- EC
- 2.3.1.31
- UniProt
- P9WJY9
- Ligands
- MG, SO4, CL
- Pockets
- 7 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Homoserine O-acetyltransferase (EC 2.3.1.31) | protein | 366 | 38% helix, 18% strand | P9WJY9 |
| B | Homoserine O-acetyltransferase (EC 2.3.1.31) | protein | 365 | 38% helix, 19% strand | P9WJY9 |
Ligands and binding sites
- MG · Magnesium ion · metal · 6 copies · chains A, B
- SO4 · Sulfate ion · ion · 9 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 313 | 0.68 | 0.82 | 35 | empty |
| 2 | 276 | 0.63 | 0.81 | 26 | SO4 |
| 3 | 286 | 0.63 | 0.80 | 28 | SO4, CL |
| 4 | 166 | 0.49 | 0.77 | 38 | empty |
| 5 | 118 | 0.46 | 0.79 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1820 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 6PUX · Homoserine transacetylase MetX from Mycobacterium tuberculosis · the same entry in another collection · chain A against A, TM-score 1.00
- P9WJY9 · AlphaFold monomer V2.0 prediction for homoserine O-acetyltransferase (P9WJY9) · 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 P9WJY9
- Elsewhere: RCSB PDB 6PUX · PDBe 6PUX · UniProt P9WJY9
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