MolNFT v1 · #10534 · protein
The crystal structure of aspartate aminotransferase which belongs to subgroup IV from thermus thermophilus
1IUG · Putative aspartate aminotransferase: “The crystal structure of aspartate aminotransferase which belongs to subgroup IV from thermus thermophilus”. X-ray diffraction, 1 ligand (PO4), 6 pockets (best druggability 0.60). MolNFT v1…
- PDB
- 1IUG
- Type
- protein
- Length
- 696 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative aspartate aminotransferase
- UniProt
- P83786
- Ligands
- PO4
- Pockets
- 6 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative aspartate aminotransferase | protein | 348 | 42% helix, 18% strand | P83786 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 277 | 0.60 | 0.79 | 46 | PO4 |
| 2 | 264 | 0.59 | 0.79 | 36 | PO4 |
| 3 | 95 | 0.49 | 0.82 | 20 | empty |
| 4 | 94 | 0.36 | 0.75 | 16 | empty |
| 5 | 60 | 0.31 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1698 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (cofactor).
Compared structures
- 1IUG · The crystal structure of aspartate aminotransferase which belongs to subgroup IV from… · 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 P83786
- Elsewhere: RCSB PDB 1IUG · PDBe 1IUG · UniProt P83786
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