Research workbench
Crystal structure of human kynurenine aminotransferase-I with a C- terminal V5-hexahistidine tag
Analyse Crystal structure of human kynurenine aminotransferase-I with a C- terminal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WP0
- Type
- protein
- Length
- 1,660 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kynurenine--oxoglutarate transaminase 1
- EC
- 2.6.1.7, 4.4.1.13, 2.6.1.64
- UniProt
- Q16773
- Pockets
- 18 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kynurenine--oxoglutarate transaminase 1 (EC 2.6.1.7, 4.4.1.13, 2.6.1.64) | protein | 416 | 46% helix, 15% strand | Q16773 |
| B | Kynurenine--oxoglutarate transaminase 1 (EC 2.6.1.7, 4.4.1.13, 2.6.1.64) | protein | 413 | 46% helix, 15% strand | Q16773 |
| C | Kynurenine--oxoglutarate transaminase 1 (EC 2.6.1.7, 4.4.1.13, 2.6.1.64) | protein | 415 | 45% helix, 15% strand | Q16773 |
| D | Kynurenine--oxoglutarate transaminase 1 (EC 2.6.1.7, 4.4.1.13, 2.6.1.64) | protein | 416 | 46% helix, 15% strand | Q16773 |
Pockets
18 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 665 | 0.76 | 0.82 | 60 | empty |
| 2 | 587 | 0.74 | 0.81 | 57 | empty |
| 3 | 52 | 0.73 | 0.99 | 17 | empty |
| 4 | 537 | 0.73 | 0.81 | 54 | empty |
| 5 | 538 | 0.72 | 0.81 | 52 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2996 Ų buried · 42 hydrogen bonds · protein-protein
- C–D · 2980 Ų buried · 43 hydrogen bonds · protein-protein
- B–C · 268 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 58 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 38 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (cofactor).
Compared structures
- 4WP0 · Crystal structure of human kynurenine aminotransferase-I with a C-terminal… · the same entry in another collection · chain D against D, TM-score 1.00
- Q16773 · AlphaFold monomer V2.0 prediction for kynurenine--oxoglutarate transaminase 1 (Q16773) · a predicted model of the same protein · chain C 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 Q16773
- Elsewhere: RCSB PDB 4WP0 · PDBe 4WP0 · UniProt Q16773
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