MolNFT v1 · #70112 · protein
Crystal structure of AURORA2 kinase in complex with a GSK3BETA inhibitor
3LAU · SERINE/THREONINE-protein kinase 6: “Crystal structure of AURORA2 kinase in complex with a GSK3BETA inhibitor”. X-ray diffraction, 1 ligand (OFI), 2 pockets (best druggability 0.65). MolNFT v1 #70112 on GenesisL1: 3D structure…
- PDB
- 3LAU
- Type
- protein
- Length
- 251 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
- OFI
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase 6 (EC 2.7.11.1) | protein | 251 | 42% helix, 18% strand | O14965 |
Ligands and binding sites
- OFI · N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide · 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 | 408 | 0.65 | 0.78 | 36 | OFI |
| 2 | 59 | 0.36 | 0.78 | 11 | 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 3LAU · PDBe 3LAU · UniProt O14965
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