MolNFT v1 · #81356 · protein
Aurora a in complex with YL5-083
3UO6 · Aurora kinase a: “Aurora a in complex with YL5-083”. X-ray diffraction, 1 ligand (0BY), 3 pockets (best druggability 0.82). MolNFT v1 #81356 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3UO6
- Type
- protein
- Length
- 528 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aurora kinase a
- EC
- 2.7.11.1
- UniProt
- O14965
- Ligands
- 0BY
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aurora kinase a (EC 2.7.11.1) | protein | 264 | 40% helix, 17% strand | O14965 |
Ligands and binding sites
- 0BY · 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 992 | 0.82 | 0.83 | 80 | empty |
| 2 | 400 | 0.72 | 0.83 | 53 | 0BY |
| 3 | 401 | 0.72 | 0.83 | 59 | 0BY |
Interfaces
1 interface between chains.
- A–B · 1469 Ų buried · 12 hydrogen bonds · protein-protein
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 3UO6 · PDBe 3UO6 · UniProt O14965
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.