MolNFT v1 · #173588 · protein
Thermostable omega transaminase pjta-R6 variant W58M/F86L/R417L engineered for asymmetric synthesis of enantiopure bulky amines
7B4J · Aspartate aminotransferase family protein: “Thermostable omega transaminase pjta-R6 variant W58M/F86L/R417L engineered for asymmetric synthesis of…”. X-ray diffraction, 1 ligand (PMP), 5 pockets (best druggability 0.78). MolNFT v1…
- PDB
- 7B4J
- Type
- protein
- Length
- 901 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate aminotransferase family protein
- UniProt
- A0A2D8IND4
- Ligands
- PMP
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aspartate aminotransferase family protein | protein | 449 | 44% helix, 17% strand | A0A2D8IND4 |
| B | Aspartate aminotransferase family protein | protein | 452 | 43% helix, 17% strand | A0A2D8IND4 |
Ligands and binding sites
- PMP · 4'-deoxy-4'-aminopyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- SIN · Succinic acid · additive · chains 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 | 850 | 0.78 | 0.81 | 89 | PMP |
| 2 | 881 | 0.78 | 0.81 | 85 | PMP |
| 3 | 94 | 0.37 | 0.75 | 19 | empty |
| 4 | 92 | 0.36 | 0.75 | 18 | empty |
| 5 | 91 | 0.34 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 5462 Ų buried · 88 hydrogen bonds · protein-protein
Compared structures
- 7B4J · Thermostable omega transaminase PjTA-R6 variant W58M/F86L/R417L engineered for asymmetric… · 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 A0A2D8IND4
- Elsewhere: RCSB PDB 7B4J · PDBe 7B4J · UniProt A0A2D8IND4
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