MolNFT v1 · #134780 · protein
Crystal structure of human kat-2 in complex with a reversible inhibitor
5TF5 · KYNURENINE/ALPHA-aminoadipate aminotransferase…: “Crystal structure of human kat-2 in complex with a reversible inhibitor”. X-ray diffraction, 1 ligand (7AR), 7 pockets (best druggability 0.67). MolNFT v1 #134780 on GenesisL1: 3D…
- PDB
- 5TF5
- Type
- protein
- Length
- 850 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- KYNURENINE/ALPHA-aminoadipate aminotransferase, mitochondrial
- EC
- 2.6.1.39, 2.6.1.7
- UniProt
- Q8N5Z0
- Ligands
- 7AR
- Pockets
- 7 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | KYNURENINE/ALPHA-aminoadipate aminotransferase, mitochondrial (EC 2.6.1.39, 2.6.1.7) | protein | 425 | 43% helix, 17% strand | Q8N5Z0 |
Ligands and binding sites
- 7AR · (2R)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 315 | 0.67 | 0.82 | 34 | empty |
| 2 | 158 | 0.63 | 0.85 | 29 | 7AR |
| 3 | 159 | 0.59 | 0.83 | 34 | empty |
| 4 | 371 | 0.55 | 0.74 | 49 | empty |
| 5 | 298 | 0.54 | 0.75 | 36 | empty |
Interfaces
1 interface between chains.
- A–B · 4070 Ų buried · 70 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (cofactor).
Compared structures
- 5TF5 · Crystal structure of human kat-2 in complex with a reversible inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- Q8N5Z0 · AlphaFold monomer V2.0 prediction for KYNURENINE/ALPHA-aminoadipate aminotransferase… · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q8N5Z0
- Elsewhere: RCSB PDB 5TF5 · PDBe 5TF5 · UniProt Q8N5Z0
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