MolNFT v1 · #108171 · protein
SAR156497 an exquisitely selective inhibitor of aurora kinases
4UYN · Aurora kinase a: “SAR156497 an exquisitely selective inhibitor of aurora kinases”. X-ray diffraction, 1 ligand (Y3M), 1 pocket (best druggability 0.62). MolNFT v1 #108171 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4UYN
- Type
- protein
- Length
- 249 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
- Y3M
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aurora kinase a (EC 2.7.11.1) | protein | 249 | 38% helix, 18% strand | O14965 |
Ligands and binding sites
- Y3M · ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate · 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 | 296 | 0.62 | 0.79 | 36 | Y3M |
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 4UYN · PDBe 4UYN · UniProt O14965
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