MolNFT v1 · #129700 · protein
Crystal structure of aurora-a kinase in complex with an allosterically binding fragment
5OS5 · Aurora kinase a: “Crystal structure of aurora-a kinase in complex with an allosterically binding fragment”. X-ray diffraction, 4 ligands (ADP, A8K, MG), 2 pockets (best druggability 0.76). MolNFT v1 #129700 on GenesisL1: 3D…
- PDB
- 5OS5
- Type
- protein
- Length
- 268 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
- ADP, A8K, MG, CL
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aurora kinase a (EC 2.7.11.1) | protein | 268 | 40% helix, 19% strand | O14965 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- A8K · 4-(4-hydroxyphenyl)sulfanylphenol · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · 3 copies · 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 | 507 | 0.76 | 0.84 | 52 | ADP, MG, CL |
| 2 | 63 | 0.31 | 0.74 | 10 | A8K |
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 5OS5 · Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment · the same entry in another collection · chain A against A, TM-score 1.00
- O14965 · AlphaFold monomer V2.0 prediction for aurora kinase a (O14965) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 5OS5 · PDBe 5OS5 · UniProt O14965
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.