MolNFT v1 · #74874 · protein
Aurora a kinase domain with phthalazinone pyrazole inhibitor
3P9J · SERINE/THREONINE-protein kinase 6: “Aurora a kinase domain with phthalazinone pyrazole inhibitor”. X-ray diffraction, 1 ligand (P9J), 1 pocket (best druggability 0.67). MolNFT v1 #74874 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3P9J
- Type
- protein
- Length
- 249 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase 6
- EC
- 2.7.11.1
- UniProt
- O14965
- Ligands
- P9J
- Pockets
- 1 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase 6 (EC 2.7.11.1) | protein | 249 | 42% helix, 20% strand | O14965 |
Ligands and binding sites
- P9J · 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one · 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 | 477 | 0.67 | 0.78 | 40 | P9J |
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 3P9J · PDBe 3P9J · UniProt O14965
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