3I7B
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NM-PP1
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Calmodulin-domain protein kinase 1 | polymer | 484 | 55226.9 | 1 | UniProt (Q9BJF5) Pfam (PF00069) Pfam (PF13499) In PDB | Toxoplasma gondii | |
| 2 | A | 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | non-polymer | 317.4 | 1 | Chemie (BK1) | |||
| 3 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 4 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 5 | water | water | 18.0 | 127 | Chemie (HOH) |
Sequence modifications
A: 30 - 507 (UniProt: Q9BJF5)
| PDB | External Database | Details |
|---|---|---|
| Gly -5 | - | expression tag |
| Pro -4 | - | expression tag |
| Gly -3 | - | expression tag |
| Ser -2 | - | expression tag |
| Met -1 | - | expression tag |
| Met 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 55226.9 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 581.7 | |
| All* | Total formula weight | 55808.6 |
