MolNFT v1 · #1110 · protein
Aspartate aminotransferase, W140H mutant, maleate complex
1ARI: “Aspartate aminotransferase, W140H mutant, maleate complex”. X-ray diffraction, 2 ligands (PLP, MAE), 12 pockets (best druggability 0.81). MolNFT v1 #1110 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1ARI
- Type
- protein
- Length
- 792 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate aminotransferase
- EC
- 2.6.1.1
- UniProt
- P00509
- Ligands
- PLP, MAE
- Pockets
- 12 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aspartate aminotransferase (EC 2.6.1.1) | protein | 396 | 46% helix, 14% strand | P00509 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- MAE · Maleic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 171 | 0.81 | 0.97 | 31 | PLP, MAE |
| 2 | 148 | 0.80 | 0.97 | 30 | PLP, MAE |
| 3 | 465 | 0.63 | 0.77 | 77 | empty |
| 4 | 332 | 0.59 | 0.77 | 49 | empty |
| 5 | 65 | 0.39 | 0.79 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 3457 Ų buried · 58 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).
Compared structures
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 P00509
- Elsewhere: RCSB PDB 1ARI · PDBe 1ARI · UniProt P00509
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