MolNFT v1 · #151437 · protein
Crystal structure of the aminotransferase ARO8 from C. albicans with ligands
6HNU · Aromatic amino acid aminotransferase I: “Crystal structure of the aminotransferase ARO8 from C. albicans with ligands”. X-ray diffraction, 3 ligands (PLP, PHE, CL), 11 pockets (best druggability 0.79). MolNFT v1 #151437 on…
- PDB
- 6HNU
- Type
- protein
- Length
- 959 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aromatic amino acid aminotransferase I
- UniProt
- C4YJ02
- Ligands
- PLP, PHE, CL
- Pockets
- 11 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aromatic amino acid aminotransferase I | protein | 479 | 44% helix, 16% strand | C4YJ02 |
| B | Aromatic amino acid aminotransferase I | protein | 480 | 44% helix, 16% strand | C4YJ02 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- PHE · Phenylalanine · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 4 copies · chains A, B
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 672 | 0.79 | 0.83 | 66 | PLP, PHE |
| 2 | 725 | 0.78 | 0.83 | 64 | PLP, PHE |
| 3 | 258 | 0.67 | 0.84 | 25 | empty |
| 4 | 121 | 0.51 | 0.81 | 15 | BTB |
| 5 | 111 | 0.51 | 0.81 | 15 | BTB |
Interfaces
1 interface between chains.
- A–B · 4226 Ų buried · 46 hydrogen bonds · protein-protein
Compared structures
- 6HNU · Crystal structure of the aminotransferase Aro8 from C. Albicans with ligands · 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 C4YJ02
- Elsewhere: RCSB PDB 6HNU · PDBe 6HNU · UniProt C4YJ02
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