MolNFT v1 · #129540 · protein
Crystal structure of aurora-a in complex with fmf-03-145-1 (compound 2)
5ONE · Aurora kinase a: “Crystal structure of aurora-a in complex with fmf-03-145-1 (compound 2)”. X-ray diffraction, 1 ligand (9YQ), 4 pockets (best druggability 0.72). MolNFT v1 #129540 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5ONE
- Type
- protein
- Length
- 257 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
- 9YQ
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aurora kinase a (EC 2.7.11.1) | protein | 257 | 41% helix, 17% strand | O14965 |
Ligands and binding sites
- 9YQ · 4-(propanoylamino)-~{N}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 242 | 0.72 | 0.87 | 30 | 9YQ |
| 2 | 61 | 0.40 | 0.80 | 11 | empty |
| 3 | 51 | 0.28 | 0.75 | 15 | empty |
| 4 | 74 | 0.28 | 0.72 | 15 | empty |
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 5ONE · PDBe 5ONE · UniProt O14965
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