Research workbench
Structure of the anopheles gambiae 3-hydroxykynurenine transaminase in complex with inhibitor
Analyse Structure of the anopheles gambiae 3-hydroxykynurenine transaminase in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2CH2
- Type
- protein
- Length
- 1,548 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-hydroxykynurenine transaminase
- UniProt
- Q4LAM2
- Ligands
- PLP, KY1
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | 3-hydroxykynurenine transaminase | protein | 387 | 42% helix, 14% strand | Q4LAM2 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 4 copies · chains A, D, B, C
- KY1 · 4-(2-aminophenyl)-4-oxobutanoic acid · ligand · 4 copies · chains B, C, A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 989 | 0.80 | 0.81 | 100 | KY1 |
| 2 | 242 | 0.62 | 0.81 | 32 | KY1 |
| 3 | 248 | 0.62 | 0.81 | 32 | KY1 |
| 4 | 233 | 0.60 | 0.80 | 31 | KY1 |
| 5 | 54 | 0.33 | 0.77 | 14 | empty |
Interfaces
6 interfaces between chains.
- B–C · 3930 Ų buried · 38 hydrogen bonds · protein-protein
- A–D · 3917 Ų buried · 44 hydrogen bonds · protein-protein
- A–C · 294 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 127 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 66 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 2CH2 · Structure of the Anopheles gambiae 3-hydroxykynurenine transaminase in complex with… · 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 Q4LAM2
- Elsewhere: RCSB PDB 2CH2 · PDBe 2CH2 · UniProt Q4LAM2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.