5JN2
Crystal structure of TgCDPK1 bound to NVPACU106
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 | 525 | 59533.4 | 1 | UniProt (Q9BJF5) Pfam (PF00069) Pfam (PF13499) In PDB | Toxoplasma gondii | |
2 | A | N-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide | non-polymer | 441.5 | 1 | Chemie (6LO) | |||
3 | A | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
4 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
5 | water | water | 18.0 | 50 | Chemie (HOH) |
Sequence modifications
A: 1 - 507 (UniProt: Q9BJF5)
PDB | External Database | Details |
---|---|---|
Met -17 | - | expression tag |
His -16 | - | expression tag |
His -15 | - | expression tag |
His -14 | - | expression tag |
His -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
Ser -10 | - | expression tag |
Ser -9 | - | expression tag |
Gly -8 | - | expression tag |
Arg -7 | - | expression tag |
Glu -6 | - | expression tag |
Asn -5 | - | expression tag |
Leu -4 | - | expression tag |
Tyr -3 | - | expression tag |
Phe -2 | - | expression tag |
Gln -1 | - | expression tag |
Gly 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 59533.4 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 543.7 | |
All* | Total formula weight | 60077.1 |