MolNFT v1 · #129218 · protein
Aurora-a in complex with TACC3
5ODT · Aurora kinase a: “Aurora-a in complex with TACC3”. X-ray diffraction, 2 ligands (ADP, SO4), 2 pockets (best druggability 0.55). MolNFT v1 #129218 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5ODT
- Type
- protein
- Length
- 300 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aurora kinase a; Transforming acidic coiled-coil-containing protein 3
- EC
- 2.7.11.1
- UniProt
- O14965, Q9Y6A5
- Ligands
- ADP, SO4
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aurora kinase a (EC 2.7.11.1) | protein | 258 | 42% helix, 18% strand | O14965 |
| B | Transforming acidic coiled-coil-containing protein 3 | protein | 42 | 31% helix, 2% strand | Q9Y6A5 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- GOL · Glycerol · additive · 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 | 212 | 0.55 | 0.78 | 27 | ADP |
| 2 | 81 | 0.36 | 0.76 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 527 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5ODT · Aurora-A in complex with TACC3 · 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 0.93
- Q9Y6A5 · AlphaFold monomer V2.0 prediction for transforming acidic coiled- coil-containing protein… · a predicted model of the same protein · chain B against A, TM-score 0.33
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 Q9Y6A5
- Elsewhere: RCSB PDB 5ODT · PDBe 5ODT · UniProt O14965 · UniProt Q9Y6A5
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