Research workbench
Crystal structure of aedes aegypti alanine glyoxylate aminotransferase in complex with glyoxylic acid
Analyse Crystal structure of aedes aegypti alanine glyoxylate aminotransferase in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2HUI
- Type
- protein
- Length
- 770 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alanine glyoxylate aminotransferase
- EC
- 2.6.1.44
- UniProt
- Q3LSM4
- Ligands
- GLV
- Pockets
- 3 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alanine glyoxylate aminotransferase (EC 2.6.1.44) | protein | 385 | 43% helix, 15% strand | Q3LSM4 |
Ligands and binding sites
- GLV · Glyoxylic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 302 | 0.62 | 0.79 | 34 | GLV |
| 2 | 306 | 0.62 | 0.79 | 34 | GLV |
| 3 | 50 | 0.42 | 0.83 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 4131 Ų buried · 62 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (cofactor).
Compared structures
- 2HUI · Crystal structure of Aedes aegypti alanine glyoxylate aminotransferase in complex with… · the same entry in another collection · chain B against B, TM-score 1.00
- Q3LSM4 · AlphaFold monomer V2.0 prediction for alanine--glyoxylate aminotransferase (Q3LSM4) · a predicted model of the same protein · 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 Q3LSM4
- Elsewhere: RCSB PDB 2HUI · PDBe 2HUI · UniProt Q3LSM4
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