Research workbench
E198A mutant of N-acetylornithine aminotransferase from Salmonella typhimurium
Analyse E198A mutant of N-acetylornithine aminotransferase from Salmonella typhimurium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JEY
- Type
- protein
- Length
- 785 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.55
- Source
- Salmonella typhimurium
- Molecule
- Acetylornithine/succinyldiaminopimelate aminotransferase
- EC
- 2.6.1.11, 2.6.1.17
- UniProt
- P40732
- Ligands
- PLP, NA
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · resolution 1.55 · 2 distinct chains · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetylornithine/succinyldiaminopimelate aminotransferase (EC 2.6.1.11, 2.6.1.17) | protein | 397 | 43% helix, 19% strand | P40732 |
| B | Acetylornithine/succinyldiaminopimelate aminotransferase (EC 2.6.1.11, 2.6.1.17) | protein | 388 | 42% helix, 19% strand | P40732 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 9 copies · chains A, B
- ACT · Acetate ion · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1035 | 0.84 | 0.85 | 92 | EDO, ACT, PLP |
| 2 | 577 | 0.77 | 0.83 | 57 | PLP |
Interfaces
1 interface between chains.
- A–B · 3958 Ų buried · 43 hydrogen bonds · protein-protein
Compared structures
- 4JEY · E198A mutant of N-acetylornithine aminotransferase from salmonella typhimurium · the same entry in another collection · chain A against A, TM-score 1.00
- P40732 · AlphaFold monomer V2.0 prediction for ACETYLORNITHINE/SUCCINYLDIAMINOPIMELATE… · a predicted model of the same protein · chain B 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 P40732
- Elsewhere: RCSB PDB 4JEY · PDBe 4JEY · UniProt P40732
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