Research workbench
Plasmodium vivax ethanolamine kinase PV091845
Analyse Plasmodium vivax ethanolamine kinase PV091845 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2QG7
- Type
- protein
- Length
- 1,467 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ethanolamine kinase PV091845
- UniProt
- A5K4Q6
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 49% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ethanolamine kinase PV091845 | protein | 368 | 48% helix, 14% strand | A5K4Q6 |
| B | Ethanolamine kinase PV091845 | protein | 363 | 51% helix, 13% strand | A5K4Q6 |
| D | Ethanolamine kinase PV091845 | protein | 367 | 48% helix, 13% strand | A5K4Q6 |
| E | Ethanolamine kinase PV091845 | protein | 369 | 48% helix, 13% strand | A5K4Q6 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 772 | 0.72 | 0.78 | 72 | empty |
| 2 | 85 | 0.70 | 0.94 | 22 | empty |
| 3 | 389 | 0.67 | 0.80 | 51 | empty |
| 4 | 447 | 0.67 | 0.79 | 40 | SO4 |
| 5 | 200 | 0.67 | 0.85 | 34 | empty |
Interfaces
5 interfaces between chains.
- A–E · 1317 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 1286 Ų buried · 7 hydrogen bonds · protein-protein
- D–E · 424 Ų buried · 1 hydrogen bond · protein-protein
- B–E · 100 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 12 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2QG7 · Plasmodium vivax ethanolamine kinase Pv091845 · 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 A5K4Q6
- Elsewhere: RCSB PDB 2QG7 · PDBe 2QG7 · UniProt A5K4Q6
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