MolNFT v1 · #17184 · protein
Structure of aurora-a 122-403, phosphorylated on THR287, THR288 and bound to TPX2 1-43
1OL5 · SERINE/THREONINE kinase 6: “Structure of aurora-a 122-403, phosphorylated on THR287, THR288 and bound to TPX2 1-43”. X-ray diffraction, 3 ligands (ADP, MG, SO4), 1 pocket (best druggability 0.69). MolNFT v1 #17184 on GenesisL1: 3D…
- PDB
- 1OL5
- Type
- protein
- Length
- 294 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE kinase 6; Restricted expression proliferation associated protein 100
- EC
- 2.7.1.37
- UniProt
- O14965, Q9ULW0
- Ligands
- ADP, MG, SO4
- Pockets
- 1 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE kinase 6 (EC 2.7.1.37) | protein | 265 | 42% helix, 20% strand | O14965 |
| B | Restricted expression proliferation associated protein 100 | protein | 29 | 34% helix, 3% strand | Q9ULW0 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
- SO4 · Sulfate ion · ion · 3 copies · 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 | 365 | 0.69 | 0.82 | 39 | ADP, MG |
Interfaces
1 interface between chains.
- A–B · 1345 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 1OL5 · Structure of Aurora-A 122-403, phosphorylated on Thr287, Thr288 and bound to TPX2 1-43 · 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 0.98
- Q9ULW0 · AlphaFold monomer V2.0 prediction for targeting protein for XKLP2 (Q9ULW0) · a predicted model of the same protein · chain B against A, TM-score 0.34
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
- Every structure of UniProt Q9ULW0
- Elsewhere: RCSB PDB 1OL5 · PDBe 1OL5 · UniProt O14965 · UniProt Q9ULW0
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