MolNFT v1 · #39466 · protein
Crystal structure of aedes aegypti alanine glyoxylate aminotransferase in complex with alanine
2HUU: “Crystal structure of aedes aegypti alanine glyoxylate aminotransferase in complex with alanine”. X-ray diffraction, 1 ligand (ALA), 3 pockets (best druggability 0.63). MolNFT v1 #39466 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2HUU
- 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
- ALA
- Pockets
- 3 · best druggability 0.63
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
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 | 326 | 0.63 | 0.79 | 35 | 1BO |
| 2 | 334 | 0.62 | 0.79 | 35 | ALA |
| 3 | 56 | 0.28 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 4137 Ų buried · 60 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (cofactor).
Compared structures
- 2HUU · Crystal structure of Aedes aegypti alanine glyoxylate aminotransferase in complex with… · the same entry in another collection · chain A against A, 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 2HUU · PDBe 2HUU · UniProt Q3LSM4
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