MolNFT v1 · #151422 · protein
Crystal structure of the aromatic aminotransferase ARO9 from C. albicans
6HND · Aromatic-amino-ACID:2-oxoglutarate transaminase: “Crystal structure of the aromatic aminotransferase ARO9 from C. albicans”. X-ray diffraction, 2 ligands (PLP, K), 3 pockets (best druggability 0.66). MolNFT v1 #151422 on GenesisL1…
- PDB
- 6HND
- Type
- protein
- Length
- 937 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aromatic-amino-ACID:2-oxoglutarate transaminase
- UniProt
- A0A1D8PMC5
- Ligands
- PLP, K
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aromatic-amino-ACID:2-oxoglutarate transaminase | protein | 467 | 42% helix, 16% strand | A0A1D8PMC5 |
| B | Aromatic-amino-ACID:2-oxoglutarate transaminase | protein | 470 | 41% helix, 16% strand | A0A1D8PMC5 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · chains B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 385 | 0.66 | 0.80 | 49 | PLP |
| 2 | 449 | 0.66 | 0.78 | 47 | PLP |
| 3 | 183 | 0.46 | 0.75 | 36 | empty |
Interfaces
1 interface between chains.
- A–B · 4858 Ų buried · 64 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 6HND · Crystal structure of the aromatic aminotransferase Aro9 from C. Albicans · 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 A0A1D8PMC5
- Elsewhere: RCSB PDB 6HND · PDBe 6HND · UniProt A0A1D8PMC5
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