Research workbench
Psychrophilic aromatic amino acids aminotransferase from psychrobacter sp. B6 cocrystalized with substrate analog - L-(-)-3-phenyllactic acid
Analyse Psychrophilic aromatic amino acids aminotransferase from psychrobacter sp. B6… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6ZUP
- Type
- protein
- Length
- 796 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminotransferase
- EC
- 2.6.1.-
- UniProt
- C7E5X4
- Ligands
- PLP, HFA, MG, NO3
- Pockets
- 6 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Aminotransferase (EC 2.6.1.-) | protein | 398 | 48% helix, 13% strand | C7E5X4 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains B, A
- HFA · Alpha-hydroxy-beta-phenyl-propionic acid · ligand · 2 copies · chains B, A
- MG · Magnesium ion · metal · chains B, A
- NO3 · Nitrate ion · ion · 4 copies · chains B, 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 331 | 0.72 | 0.84 | 53 | PLP, HFA |
| 2 | 318 | 0.71 | 0.84 | 55 | PLP, HFA |
| 3 | 89 | 0.57 | 0.86 | 29 | empty |
| 4 | 70 | 0.40 | 0.80 | 17 | empty |
| 5 | 65 | 0.34 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- B–A · 3435 Ų buried · 50 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 cofactor, 1 disulfide (pyridoxal phosphate Schiff base, disulfide).
Compared structures
- 6ZUP · Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6… · the same entry in another collection · chain B against B, 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 C7E5X4
- Elsewhere: RCSB PDB 6ZUP · PDBe 6ZUP · UniProt C7E5X4
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