Research workbench
Acetylglutamate kinase from escherichia COLI free of substrates
Analyse Acetylglutamate kinase from escherichia COLI free of substrates in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WXB
- Type
- protein
- Length
- 515 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetylglutamate kinase
- EC
- 2.7.2.8
- UniProt
- P0A6C8
- Pockets
- 7 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetylglutamate kinase (EC 2.7.2.8) | protein | 257 | 44% helix, 25% strand | P0A6C8 |
| B | Acetylglutamate kinase (EC 2.7.2.8) | protein | 258 | 43% helix, 23% strand | P0A6C8 |
Ligands and binding sites
- DTU · (2R,3S)-1,4-dimercaptobutane-2,3-diol · additive · 2 copies · chains A, B
- ACT · Acetate ion · additive · chains A
- EDO · 1,2-ethanediol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 349 | 0.62 | 0.78 | 37 | DTU |
| 2 | 358 | 0.61 | 0.77 | 46 | DTU, ACT |
| 3 | 216 | 0.54 | 0.78 | 35 | empty |
| 4 | 193 | 0.51 | 0.77 | 29 | empty |
| 5 | 55 | 0.45 | 0.84 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1432 Ų buried · 12 hydrogen bonds · protein-protein
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 P0A6C8
- Elsewhere: RCSB PDB 2WXB · PDBe 2WXB · UniProt P0A6C8
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