MolNFT v1 · #35634 · protein
Crystal structure of acetylornithine aminotransferase from aquifex aeolicus VF5
2EH6: “Crystal structure of acetylornithine aminotransferase from aquifex aeolicus VF5”. X-ray diffraction, 1 ligand (PLP), 5 pockets (best druggability 0.77). MolNFT v1 #35634 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2EH6
- Type
- protein
- Length
- 750 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetylornithine aminotransferase
- EC
- 2.6.1.11
- UniProt
- O66442
- Ligands
- PLP
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Acetylornithine aminotransferase (EC 2.6.1.11) | protein | 375 | 39% helix, 22% strand | O66442 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 519 | 0.77 | 0.84 | 55 | PLP |
| 2 | 520 | 0.77 | 0.84 | 54 | PLP |
| 3 | 61 | 0.31 | 0.75 | 14 | empty |
| 4 | 64 | 0.30 | 0.75 | 15 | empty |
| 5 | 51 | 0.29 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 4987 Ų buried · 75 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor, 2 disulfide (pyridoxal phosphate Schiff base, disulfide).
Compared structures
- 2EH6 · Crystal structure of acetylornithine aminotransferase from Aquifex aeolicus VF5 · the same entry in another collection · chain A against A, TM-score 1.00
- O66442 · AlphaFold monomer V2.0 prediction for acetylornithine aminotransferase (O66442) · a predicted model of the same protein · chain B 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 O66442
- Elsewhere: RCSB PDB 2EH6 · PDBe 2EH6 · UniProt O66442
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