MolNFT v1 · #113274 · protein
Aurora a kinase bound to an imidazopyridine inhibitor (14D)
5AAE · Aurora kinase a: “Aurora a kinase bound to an imidazopyridine inhibitor (14D)”. X-ray diffraction, 1 ligand (7HD), 2 pockets (best druggability 0.70). MolNFT v1 #113274 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5AAE
- Type
- protein
- Length
- 252 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
- 7HD
- Pockets
- 2 · best druggability 0.70
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 | 252 | 41% helix, 18% strand | O14965 |
Ligands and binding sites
- 7HD · 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-5-methylisoxazole · 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 | 555 | 0.70 | 0.79 | 49 | 7HD |
| 2 | 54 | 0.29 | 0.75 | 10 | 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 5AAE · PDBe 5AAE · UniProt O14965
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