MolNFT v1 · #49361 · protein
Crystal structure of human kynurenine aminotransferase II
2QLR · KYNURENINE/ALPHA-aminoadipate aminotransferase mitochondrial: “Crystal structure of human kynurenine aminotransferase II”. X-ray diffraction, 15 pockets (best druggability 0.73). MolNFT v1 #49361 on GenesisL1: 3D structure, binding…
- PDB
- 2QLR
- Type
- protein
- Length
- 1,700 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- KYNURENINE/ALPHA-aminoadipate aminotransferase mitochondrial
- EC
- 2.6.1.7, 2.6.1.39
- UniProt
- Q8N5Z0
- Pockets
- 15 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | KYNURENINE/ALPHA-aminoadipate aminotransferase mitochondrial (EC 2.6.1.7, 2.6.1.39) | protein | 425 | 41% helix, 17% strand | Q8N5Z0 |
Ligands and binding sites
- GOL · Glycerol · additive · 12 copies · chains B, C, D, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.73 | 0.95 | 25 | empty |
| 2 | 665 | 0.72 | 0.79 | 74 | GOL |
| 3 | 618 | 0.71 | 0.79 | 81 | empty |
| 4 | 294 | 0.69 | 0.83 | 40 | empty |
| 5 | 300 | 0.68 | 0.83 | 33 | empty |
Interfaces
4 interfaces between chains.
- C–D · 4036 Ų buried · 67 hydrogen bonds · protein-protein
- A–B · 4033 Ų buried · 68 hydrogen bonds · protein-protein
- A–D · 219 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 20 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (cofactor).
Compared structures
- 2QLR · Crystal structure of human kynurenine aminotransferase II · the same entry in another collection · chain D against D, TM-score 1.00
- Q8N5Z0 · AlphaFold monomer V2.0 prediction for KYNURENINE/ALPHA-aminoadipate aminotransferase… · a predicted model of the same protein · chain D against A, TM-score 0.99
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 2QLR · PDBe 2QLR · UniProt Q8N5Z0
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