MolNFT v1 · #94764 · protein
Selective & brain-permeable polo-like kinase-2 (plk-2) inhibitors that reduce -synuclein phosphorylation in rat brain
4I6F · SERINE/THREONINE-protein kinase PLK2: “Selective & brain-permeable polo-like kinase-2 (plk-2) inhibitors that reduce -synuclein phosphorylation in…”. X-ray diffraction, 1 ligand (1C7), 2 pockets (best druggability 0.64). MolNFT v1…
- PDB
- 4I6F
- Type
- protein
- Length
- 285 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase PLK2
- EC
- 2.7.11.21
- UniProt
- Q9NYY3
- Ligands
- 1C7
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase PLK2 (EC 2.7.11.21) | protein | 285 | 37% helix, 20% strand | Q9NYY3 |
Ligands and binding sites
- 1C7 · (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1H-imidazol-1-yl)-7,8-dihydropteridin-6(5H)-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 352 | 0.64 | 0.79 | 40 | 1C7 |
| 2 | 73 | 0.36 | 0.77 | 20 | empty |
Compared structures
- 4I6F · Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NYY3 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase PLK2 (Q9NYY3) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9NYY3
- Elsewhere: RCSB PDB 4I6F · PDBe 4I6F · UniProt Q9NYY3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.