MolNFT v1 · #113276 · protein
Aurora a kinase bound to an imidazopyridine inhibitor (14B)
5AAG · Aurora kinase a: “Aurora a kinase bound to an imidazopyridine inhibitor (14B)”. X-ray diffraction, 1 ligand (6F2), 1 pocket (best druggability 0.71). MolNFT v1 #113276 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5AAG
- Type
- protein
- Length
- 253 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
- 6F2
- Pockets
- 1 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aurora kinase a (EC 2.7.11.1) | protein | 253 | 40% helix, 19% strand | O14965 |
Ligands and binding sites
- 6F2 · [3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 529 | 0.71 | 0.80 | 45 | 6F2 |
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 5AAG · PDBe 5AAG · UniProt O14965
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