MolNFT v1 · #114304 · protein
Thermus thermophilus aspartate aminotransferase tetra mutant 1
5BJ3 · Protein (aspartate aminotransferase): “Thermus thermophilus aspartate aminotransferase tetra mutant 1”. X-ray diffraction, 1 ligand (PLP), 11 pockets (best druggability 0.72). MolNFT v1 #114304 on GenesisL1: 3D structure, binding…
- PDB
- 5BJ3
- Type
- protein
- Length
- 1,452 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (aspartate aminotransferase)
- EC
- 2.6.1.1
- UniProt
- Q56232
- Ligands
- PLP
- Pockets
- 11 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Protein (aspartate aminotransferase) (EC 2.6.1.1) | protein | 363 | 46% helix, 16% strand | Q56232 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 535 | 0.72 | 0.81 | 48 | empty |
| 2 | 473 | 0.71 | 0.81 | 54 | empty |
| 3 | 324 | 0.64 | 0.80 | 43 | PLP |
| 4 | 313 | 0.64 | 0.80 | 41 | PLP |
| 5 | 317 | 0.62 | 0.79 | 45 | PLP |
Interfaces
3 interfaces between chains.
- C–D · 3053 Ų buried · 64 hydrogen bonds · protein-protein
- A–B · 3051 Ų buried · 61 hydrogen bonds · protein-protein
- A–C · 336 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 5BJ3 · Thermus thermophilus aspartate aminotransferase tetra mutant 1 · the same entry in another collection · chain D against D, TM-score 1.00
- Q56232 · AlphaFold monomer V2.0 prediction for ASPARTATE/PREPHENATE aminotransferase (Q56232) · a predicted model of the same protein · 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 Q56232
- Elsewhere: RCSB PDB 5BJ3 · PDBe 5BJ3 · UniProt Q56232
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