3FDN
Structure-based drug design of novel Aurora kinase A inhibitors: Structure basis for potency and specificity
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Serine/threonine-protein kinase 6 | polymer | 279 | 32359.1 | 1 | UniProt (O14965) Pfam (PF00069) In PDB | Homo sapiens (human) | Aurora kinase A, Aurora-A, Serine/threonine kinase 15, Aurora/IPL1-related kinase 1, Aurora-related kinase 1, hARK1, Breast tumor-amplified kinase |
| 2 | A | N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide | non-polymer | 406.4 | 1 | Chemie (MMH) | |||
| 3 | water | water | 18.0 | 199 | Chemie (HOH) |
Sequence modifications
A: 123 - 401 (UniProt: O14965)
| PDB | External Database | Details |
|---|---|---|
| Asp 288 | Thr 288 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 32359.1 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 406.4 | |
| All* | Total formula weight | 32765.6 |
