5G6V
Crystal structure of the PCTAIRE1 kinase in complex with inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | CYCLIN-DEPENDENT KINASE 16 | polymer | 324 | 37308.8 | 2 | UniProt (Q00536) Pfam (PF00069) In PDB | HOMO SAPIENS (HUMAN) | CDK16, CELL DIVISION PROTEIN KINASE 16, PCTAIRE-MOTIF PROTEIN KINASE 1, SERINE/THREONINE-PROTEIN KINASE PCTAIRE-1 |
| 2 | A, B | 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide | non-polymer | 553.6 | 2 | Chemie (919) | |||
| 3 | A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 4 | water | water | 18.0 | 262 | Chemie (HOH) |
Sequence modifications
A, B: 163 - 478 (UniProt: Q00536)
| PDB | External Database | Details |
|---|---|---|
| Met 162 | - | expression tag |
| Ala 479 | - | expression tag |
| His 480 | - | expression tag |
| His 481 | - | expression tag |
| His 482 | - | expression tag |
| His 483 | - | expression tag |
| His 484 | - | expression tag |
| His 485 | - | expression tag |
| Asp 319 | Ser 319 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 74617.6 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1355.4 | |
| All* | Total formula weight | 75973.0 |
