MolNFT v1 · #4303 · protein
Crystal structure of aromatic aminotransferase from pyrococcus horikoshii OT3
1DJU: “Crystal structure of aromatic aminotransferase from pyrococcus horikoshii OT3”. X-ray diffraction, 1 ligand (PLP), 5 pockets (best druggability 0.71). MolNFT v1 #4303 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1DJU
- Type
- protein
- Length
- 748 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aromatic aminotransferase
- UniProt
- O59096
- Ligands
- PLP
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aromatic aminotransferase | protein | 375 | 45% helix, 14% strand | O59096 |
| B | Aromatic aminotransferase | protein | 373 | 45% helix, 14% strand | O59096 |
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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.71 | 0.99 | 20 | empty |
| 2 | 367 | 0.66 | 0.80 | 49 | PLP |
| 3 | 240 | 0.59 | 0.80 | 33 | PLP |
| 4 | 86 | 0.39 | 0.77 | 21 | empty |
| 5 | 50 | 0.32 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2666 Ų buried · 53 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 1DJU · Crystal structure of aromatic aminotransferase from pyrococcus horikoshii OT3 · 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 O59096
- Elsewhere: RCSB PDB 1DJU · PDBe 1DJU · UniProt O59096
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