MolNFT v1 · #116747 · protein
Aurora a in complex with ATP and AA35.
5DN3 · Aurora kinase a: “Aurora a in complex with ATP and AA35.”. X-ray diffraction, 4 ligands (5DN, ATP, MG), 2 pockets (best druggability 0.74). MolNFT v1 #116747 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5DN3
- Type
- protein
- Length
- 265 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
- 5DN, ATP, MG, SO4
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aurora kinase a (EC 2.7.11.1) | protein | 265 | 40% helix, 20% strand | O14965 |
Ligands and binding sites
- 5DN · 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid · ligand · chains A
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · 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 | 427 | 0.74 | 0.84 | 47 | MG, ATP |
| 2 | 73 | 0.31 | 0.73 | 13 | 5DN |
Modifications
Observed in the structure: 1 modified (phosphorylation).
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 5DN3 · PDBe 5DN3 · UniProt O14965
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.