8U2O
Crystal Structure of Cdk-related protein kinase 6 (PK6) from Plasmodium falciparum in complex with inhibitor TCMDC-123995
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Protein kinase 6 | polymer | 307 | 35994.6 | 2 | UniProt (Q8IDW1) Pfam (PF00069) | Plasmodium falciparum 3D7 | |
| 2 | C, H (A, B) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 3 | D, E, I, J (A, B) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 4 | F, K (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 5 | G, L (A, B) | N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide | non-polymer | 364.9 | 2 | Chemie (V3O) | |||
| 6 | M, N (A, B) | water | water | 18.0 | 132 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 305 (UniProt: Q8IDW1)
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
| Asn 44 | Cys 44 | engineered mutation |
| Arg 53 | Cys 53 | engineered mutation |
| Ala 86 | Lys 86 | engineered mutation |
| Asn 222 | Cys 222 | engineered mutation |
| Ala 237 | Lys 237 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 71989.1 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1247.9 | |
| All* | Total formula weight | 73237.0 |
