MolNFT v1 · #50294 · protein
Crystal structure of aspartokinase alpha and beta subunits
2RE1 · Aspartokinase, alpha and beta subunits: “Crystal structure of aspartokinase alpha and beta subunits”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.60). MolNFT v1 #50294 on GenesisL1: 3D structure, binding sites…
- PDB
- 2RE1
- Type
- protein
- Length
- 301 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartokinase, alpha and beta subunits
- EC
- 2.7.2.4
- UniProt
- Q9JYN6
- Ligands
- CA
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aspartokinase, alpha and beta subunits (EC 2.7.2.4) | protein | 148 | 32% helix, 32% strand | Q9JYN6 |
| B | Aspartokinase, alpha and beta subunits (EC 2.7.2.4) | protein | 153 | 35% helix, 28% strand | Q9JYN6 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 188 | 0.60 | 0.82 | 35 | empty |
| 2 | 223 | 0.58 | 0.80 | 36 | empty |
| 3 | 71 | 0.54 | 0.87 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1428 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 2RE1 · Crystal structure of aspartokinase alpha and beta subunits · 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 Q9JYN6
- Elsewhere: RCSB PDB 2RE1 · PDBe 2RE1 · UniProt Q9JYN6
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