MolNFT v1 · #116867 · protein
Aurora a kinase in complex with AA30 and ATP in space group P6122
5DR2 · Aurora kinase a: “Aurora a kinase in complex with AA30 and ATP in space group P6122”. X-ray diffraction, 3 ligands (5E1, ATP, MG), 2 pockets (best druggability 0.77). MolNFT v1 #116867 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5DR2
- Type
- protein
- Length
- 264 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
- 5E1, ATP, MG
- Pockets
- 2 · best druggability 0.77
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 | 264 | 40% helix, 20% strand | O14965 |
Ligands and binding sites
- 5E1 · 2-(3-bromophenyl)quinoline-4-carboxylic acid · ligand · chains A
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- MG · Magnesium ion · metal · 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 | 404 | 0.77 | 0.86 | 52 | MG, ATP |
| 2 | 80 | 0.41 | 0.78 | 11 | 5E1 |
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 5DR2 · PDBe 5DR2 · UniProt O14965
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