MolNFT v1 · #27804 · protein
Enterococcus casseliflavus glycerol kinase complexed with glycerol
1XUP: “Enterococcus casseliflavus glycerol kinase complexed with glycerol”. X-ray diffraction, 18 pockets (best druggability 0.84). MolNFT v1 #27804 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1XUP
- Type
- protein
- Length
- 974 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycerol kinase
- EC
- 2.7.1.30
- UniProt
- O34153
- Pockets
- 18 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| O, X | Glycerol kinase (EC 2.7.1.30) | protein | 487 | 29% helix, 12% strand | O34153 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains O, X
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 360 | 0.84 | 0.92 | 49 | empty |
| 2 | 507 | 0.78 | 0.85 | 60 | GOL |
| 3 | 340 | 0.74 | 0.86 | 35 | empty |
| 4 | 346 | 0.70 | 0.83 | 44 | empty |
| 5 | 308 | 0.67 | 0.82 | 33 | empty |
Interfaces
1 interface between chains.
- O–X · 1468 Ų buried · 19 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 O34153
- Elsewhere: RCSB PDB 1XUP · PDBe 1XUP · UniProt O34153
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