Research workbench
Biochemical properties and crystal structure of a novel beta-phenylalanine aminotransferase from variovorax paradoxus
Analyse Biochemical properties and crystal structure of a novel beta-phenylalanine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4AOA
- Type
- protein
- Length
- 862 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-phenylalanine aminotransferase
- Ligands
- IK2
- Pockets
- 6 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-phenylalanine aminotransferase | protein | 430 | 45% helix, 18% strand | — |
| B | Beta-phenylalanine aminotransferase | protein | 432 | 45% helix, 18% strand | — |
Ligands and binding sites
- IK2 · 4'-deoxy-4'-acetylyamino-pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
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 | 582 | 0.72 | 0.80 | 70 | IK2 |
| 2 | 570 | 0.71 | 0.80 | 68 | IK2 |
| 3 | 78 | 0.41 | 0.79 | 18 | empty |
| 4 | 100 | 0.39 | 0.76 | 20 | empty |
| 5 | 71 | 0.34 | 0.76 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 4489 Ų buried · 69 hydrogen bonds · protein-protein
Compared structures
- 4AOA · 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 4AOA · PDBe 4AOA
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