MolNFT v1 · #87356 · protein
Aurora a kinase bound to a highly selective imidazopyridine inhibitor
4BYJ · Aurora kinase a: “Aurora a kinase bound to a highly selective imidazopyridine inhibitor”. X-ray diffraction, 1 ligand (FH5), 2 pockets (best druggability 0.69). MolNFT v1 #87356 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4BYJ
- Type
- protein
- Length
- 246 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
- FH5
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aurora kinase a (EC 2.7.11.1) | protein | 246 | 43% helix, 17% strand | O14965 |
Ligands and binding sites
- FH5 · (S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 436 | 0.69 | 0.80 | 42 | FH5 |
| 2 | 71 | 0.65 | 0.92 | 21 | empty |
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 O14965
- Elsewhere: RCSB PDB 4BYJ · PDBe 4BYJ · UniProt O14965
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