MolNFT v1 · #151438 · protein
Crystal structure of aminotransferase ARO9 from C. albicans with ligands
6HNV · Aromatic-amino-ACID:2-oxoglutarate transaminase: “Crystal structure of aminotransferase ARO9 from C. albicans with ligands”. X-ray diffraction, 6 ligands (BCN, PLP, PHE), 4 pockets (best druggability 0.70). MolNFT v1 #151438 on…
- PDB
- 6HNV
- Type
- protein
- Length
- 934 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
- BCN, PLP, PHE, PPY, UN1, OOG
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aromatic-amino-ACID:2-oxoglutarate transaminase | protein | 467 | 41% helix, 16% strand | A0A1D8PMC5 |
Ligands and binding sites
- BCN · Bicine · ligand · 3 copies · chains A, B
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- PHE · Phenylalanine · ligand · chains A, B
- PPY · 3-phenylpyruvic acid · ligand · chains A, B
- UN1 · 2-aminohexanedioic acid · ligand · chains A, B
- OOG · 2-oxoadipic acid · ligand · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 454 | 0.70 | 0.80 | 54 | PLP, UN1, OOG |
| 2 | 456 | 0.69 | 0.80 | 54 | PHE, PPY, PLP |
| 3 | 179 | 0.50 | 0.77 | 36 | empty |
| 4 | 66 | 0.29 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 4669 Ų buried · 58 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 6HNV · Crystal structure of aminotransferase Aro9 from C. Albicans with ligands · 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 6HNV · PDBe 6HNV · UniProt A0A1D8PMC5
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