MolNFT v1 · #111573 · protein
Crystal structure of PLK4 kinase domain bound to centrinone
4YUR · SERINE/THREONINE-protein kinase PLK4: “Crystal structure of PLK4 kinase domain bound to centrinone”. X-ray diffraction, 1 ligand (4J7), 2 pockets (best druggability 0.60). MolNFT v1 #111573 on GenesisL1: 3D structure, binding sites…
- PDB
- 4YUR
- Type
- protein
- Length
- 226 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase PLK4
- EC
- 2.7.11.21
- UniProt
- O00444
- Ligands
- 4J7
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase PLK4 (EC 2.7.11.21) | protein | 226 | 42% helix, 21% strand | O00444 |
Ligands and binding sites
- 4J7 · 2-({2-fluoro-4-[(2-fluoro-3-nitrobenzyl)sulfonyl]phenyl}sulfanyl)-5-methoxy-N-(3-methyl-1H-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-4-amine · 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 | 345 | 0.60 | 0.77 | 38 | 4J7 |
| 2 | 51 | 0.32 | 0.76 | 13 | empty |
Compared structures
- 4YUR · Crystal Structure of Plk4 Kinase Domain Bound to Centri · the same entry in another collection · chain A against A, TM-score 1.00
- O00444 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase PLK4 (O00444) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 O00444
- Elsewhere: RCSB PDB 4YUR · PDBe 4YUR · UniProt O00444
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