3DAJ
Crystal structure of Aurora A complexed with an inhibitor discovered through site-directed dynamic tethering
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | serine/threonine kinase 6 | polymer | 272 | 31563.2 | 1 | UniProt (Q8C3H8) Pfam (PF00069) UniProt (by SIFTS) (P97477) | Mus musculus (mouse) | Aurora-A |
| 2 | B (A) | N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide | non-polymer | 423.5 | 1 | Chemie (FXG) | |||
| 3 | C (A) | water | water | 18.0 | 100 | Chemie (HOH) |
Sequence modifications
A: 125 - 391 (UniProt: Q8C3H8)
| PDB | External Database | Details |
|---|---|---|
| Gly 120 | - | expression tag |
| Pro 121 | - | expression tag |
| Leu 122 | - | expression tag |
| Gly 123 | - | expression tag |
| Ser 124 | - | expression tag |
| Gly 173 | Asn 164 | engineered mutation |
| Arg 227 | Lys 218 | engineered mutation |
| Asp 287 | Thr 278 | engineered mutation |
| Leu 289 | Met 280 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 31563.2 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 423.5 | |
| All* | Total formula weight | 31986.7 |
