MolNFT v1 · #172195 · protein
Psychrophilic aromatic amino acids aminotransferase from psychrobacter sp. B6 cocrystalized with substrate analog - L-P-hydroxyphenyllactic acid
6ZUR: “Psychrophilic aromatic amino acids aminotransferase from psychrobacter sp. B6 cocrystalized with substrate…”. X-ray diffraction, 4 ligands (TYF, PLP, MG), 10 pockets (best druggability 0.74). MolNFT v1 #172195 on GenesisL1: 3D…
- PDB
- 6ZUR
- 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
- TYF, PLP, MG, NO3
- Pockets
- 10 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aminotransferase (EC 2.6.1.-) | protein | 398 | 48% helix, 13% strand | C7E5X4 |
Ligands and binding sites
- TYF · (2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid · ligand · 2 copies · chains A, B
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- NO3 · Nitrate ion · ion · 9 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 303 | 0.74 | 0.86 | 41 | TYF, PLP |
| 2 | 237 | 0.74 | 0.88 | 39 | TYF, PLP |
| 3 | 77 | 0.54 | 0.86 | 22 | empty |
| 4 | 50 | 0.40 | 0.82 | 14 | empty |
| 5 | 62 | 0.39 | 0.80 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 3420 Ų buried · 56 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 6ZUR · Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6… · 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 C7E5X4
- Elsewhere: RCSB PDB 6ZUR · PDBe 6ZUR · UniProt C7E5X4
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