Research workbench
Crystal structure of E. COLI aspartokinase III in complex with lysine and aspartate (T-state)
Analyse Crystal structure of E. COLI aspartokinase III in complex with lysine and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2J0X
- Type
- protein
- Length
- 892 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lysine-sensitive aspartokinase 3
- EC
- 2.7.2.4
- UniProt
- P08660
- Ligands
- LYS, ASP, PO4
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lysine-sensitive aspartokinase 3 (EC 2.7.2.4) | protein | 447 | 43% helix, 24% strand | P08660 |
| B | Lysine-sensitive aspartokinase 3 (EC 2.7.2.4) | protein | 445 | 42% helix, 24% strand | P08660 |
Ligands and binding sites
- LYS · Lysine · ligand · 2 copies · chains A, B
- ASP · Aspartic acid · ligand · chains A
- PO4 · Phosphate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 87 | 0.74 | 0.96 | 31 | LYS |
| 2 | 89 | 0.73 | 0.96 | 31 | LYS |
| 3 | 95 | 0.70 | 0.92 | 18 | empty |
| 4 | 574 | 0.64 | 0.76 | 59 | ASP |
| 5 | 422 | 0.60 | 0.76 | 54 | PO4 |
Interfaces
1 interface between chains.
- A–B · 2885 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 2J0X · Crystal structure of E. COLI aspartokinase III in complex with lysine and aspartate… · the same entry in another collection · chain B against B, TM-score 1.00
- P08660 · AlphaFold monomer V2.0 prediction for lysine-sensitive aspartokinase 3 (P08660) · a predicted model of the same protein · chain B against A, TM-score 0.88
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 P08660
- Elsewhere: RCSB PDB 2J0X · PDBe 2J0X · UniProt P08660
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