MolNFT v1 · #85826 · protein
Biochemical properties and crystal structure of a novel beta-phenylalanine aminotransferase from variovorax paradoxus
4AO9: “Biochemical properties and crystal structure of a novel beta-phenylalanine aminotransferase from variovorax…”. X-ray diffraction, 1 ligand (PLP), 6 pockets (best druggability 0.69). MolNFT v1 #85826 on GenesisL1: 3D structure…
- PDB
- 4AO9
- Type
- protein
- Length
- 866 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-phenylalanine aminotransferase
- Ligands
- PLP
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-phenylalanine aminotransferase | protein | 433 | 46% helix, 18% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 559 | 0.69 | 0.79 | 67 | PLP |
| 2 | 544 | 0.69 | 0.79 | 68 | PLP |
| 3 | 89 | 0.37 | 0.76 | 20 | empty |
| 4 | 59 | 0.36 | 0.78 | 15 | empty |
| 5 | 68 | 0.33 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 4472 Ų buried · 77 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 4AO9 · Biochemical properties and crystal structure of a novel beta- phenylalanine… · 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
- Elsewhere: RCSB PDB 4AO9 · PDBe 4AO9
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