MolNFT v1 · #108197 · protein
SAR156497 an exquisitely selective inhibitor of aurora kinases
4UZH · Aurora 2 kinase domain: “SAR156497 an exquisitely selective inhibitor of aurora kinases”. X-ray diffraction, 1 ligand (JVE), 3 pockets (best druggability 0.61). MolNFT v1 #108197 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4UZH
- Type
- protein
- Length
- 251 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aurora 2 kinase domain
- EC
- 2.7.11.1
- UniProt
- O14965
- Ligands
- JVE
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aurora 2 kinase domain (EC 2.7.11.1) | protein | 251 | 42% helix, 18% strand | O14965 |
Ligands and binding sites
- JVE · (4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 353 | 0.61 | 0.77 | 35 | JVE |
| 2 | 70 | 0.35 | 0.76 | 11 | empty |
| 3 | 52 | 0.32 | 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 4UZH · PDBe 4UZH · UniProt O14965
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