MolNFT v1 · #137119 · protein
Re-refinement of the pdb structure 1YIZ of aedes aegypti kynurenine aminotransferase
5VEH: “Re-refinement of the pdb structure 1YIZ of aedes aegypti kynurenine aminotransferase”. X-ray diffraction, 1 ligand (BR), 9 pockets (best druggability 0.74). MolNFT v1 #137119 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5VEH
- Type
- protein
- Length
- 810 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kynurenine aminotransferase
- UniProt
- Q95VY4
- Ligands
- BR
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kynurenine aminotransferase | protein | 411 | 48% helix, 16% strand | Q95VY4 |
| B | Kynurenine aminotransferase | protein | 399 | 46% helix, 16% strand | Q95VY4 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 393 | 0.74 | 0.84 | 51 | BR |
| 2 | 234 | 0.60 | 0.80 | 27 | BR |
| 3 | 245 | 0.60 | 0.80 | 31 | empty |
| 4 | 55 | 0.58 | 0.91 | 21 | empty |
| 5 | 311 | 0.58 | 0.77 | 42 | empty |
Interfaces
1 interface between chains.
- A–B · 3503 Ų buried · 58 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (cofactor).
Compared structures
- 5VEH · Re-refinement OF THE PDB STRUCTURE 1yiz of Aedes aegypti kynurenine aminotransferase · 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 Q95VY4
- Elsewhere: RCSB PDB 5VEH · PDBe 5VEH · UniProt Q95VY4
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