MolNFT v1 · #151294 · protein
Crystal structure of aurora-a L210C catalytic domain in complex with ASDO2
6HJK · Aurora kinase a: “Crystal structure of aurora-a L210C catalytic domain in complex with ASDO2”. X-ray diffraction, 3 ligands (G7W, SO4, CL), 1 pocket (best druggability 0.75). MolNFT v1 #151294 on GenesisL1: 3D structure, binding…
- PDB
- 6HJK
- Type
- protein
- Length
- 255 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
- G7W, SO4, CL
- Pockets
- 1 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aurora kinase a (EC 2.7.11.1) | protein | 255 | 42% helix, 18% strand | O14965 |
Ligands and binding sites
- G7W · (~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
- CL · Chloride ion · ion · 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 | 566 | 0.75 | 0.82 | 43 | G7W |
Compared structures
- 6HJK · Crystal Structure of Aurora-A L210C catalytic domain in complex with ASDO2 · 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 0.95
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 6HJK · PDBe 6HJK · UniProt O14965
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