Research workbench
Crystal structure of the closed form of chicken cytosolic aspartate aminotransferase at 1.9 ångströms resolution
Analyse Crystal structure of the closed form of chicken cytosolic aspartate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2CST
- Type
- protein
- Length
- 822 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate aminotransferase
- EC
- 2.6.1.1
- UniProt
- P00504
- Ligands
- PLP, MAE
- Pockets
- 12 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aspartate aminotransferase (EC 2.6.1.1) | protein | 411 | 46% helix, 13% strand | P00504 |
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 | 131 | 0.73 | 0.92 | 37 | PLP, MAE |
| 2 | 175 | 0.72 | 0.89 | 43 | PLP, MAE |
| 3 | 176 | 0.70 | 0.89 | 34 | empty |
| 4 | 394 | 0.59 | 0.75 | 60 | empty |
| 5 | 98 | 0.47 | 0.80 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 3745 Ų buried · 70 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 2CST · Crystal structure of the closed form of chicken cytosolic aspartate aminotransferase at… · the same entry in another collection · chain A against A, TM-score 1.00
- P00504 · AlphaFold monomer V2.0 prediction for aspartate aminotransferase, cytoplasmic (P00504) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P00504
- Elsewhere: RCSB PDB 2CST · PDBe 2CST · UniProt P00504
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