2YIT
Structural analysis of checkpoint kinase 2 in complex with PV1162, a novel inhibitor
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-PROTEIN KINASE CHK2 | polymer | 323 | 36562.2 | 1 | UniProt (O96017) Pfam (PF00069) | HOMO SAPIENS (HUMAN) | CDS1, CHECKPOINT KINASE 2 |
| 2 | B (A) | N-{4-[(1E)-N-carbamimidoylbutanehydrazonoyl]phenyl}-5-methoxy-1H-indole-2-carboxamide | non-polymer | 392.5 | 1 | Chemie (YIT) | |||
| 3 | C (A) | NITRATE ION | non-polymer | 62.0 | 1 | Chemie (NO3) | |||
| 4 | D (A) | water | water | 18.0 | 138 | Chemie (HOH) |
Sequence modifications
A: 210 - 531 (UniProt: O96017)
| PDB | External Database | Details |
|---|---|---|
| Met 209 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 36562.2 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 454.5 | |
| All* | Total formula weight | 37016.7 |
