MolNFT v1 · #96160 · protein
Novel aurora kinase inhibitors reveal mechanisms of hurp in nucleation of centrosomal and kinetochore microtubules
4JBP · Aurora kinase a: “Novel aurora kinase inhibitors reveal mechanisms of hurp in nucleation of centrosomal and kinetochore…”. X-ray diffraction, 1 ligand (YPH), 2 pockets (best druggability 0.72). MolNFT v1 #96160 on GenesisL1: 3D…
- PDB
- 4JBP
- Type
- protein
- Length
- 255 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aurora kinase a
- EC
- 2.7.11.1
- UniProt
- O14965
- Ligands
- YPH
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aurora kinase a (EC 2.7.11.1) | protein | 255 | 41% helix, 18% strand | O14965 |
Ligands and binding sites
- YPH · 1-(4-{2-[(6-{4-[2-(4-hydroxypiperidin-1-yl)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea · 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 | 430 | 0.72 | 0.82 | 45 | YPH |
| 2 | 56 | 0.28 | 0.74 | 11 | empty |
Compared structures
- 4JBP · Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and… · the same entry in another collection · chain A against A, TM-score 1.00
- O14965 · AlphaFold monomer V2.0 prediction for aurora kinase a (O14965) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 O14965
- Elsewhere: RCSB PDB 4JBP · PDBe 4JBP · UniProt O14965
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.