6CKX
Structure of CDK12/CycK in complex with a small molecule inhibitor N-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N-((1r,4r)-4-(quinazolin-2-ylamino)cyclohexyl)acetamide
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, C | Cyclin-dependent kinase 12 | polymer | 351 | 40765.0 | 2 | UniProt (Q9NYV4) Pfam (PF00069) In PDB | Homo sapiens (Human) | Cdc2-related kinase,arginine/serine-rich,CrkRS,Cell division cycle 2-related protein kinase 7,CDC2-related protein kinase 7,Cell division protein kinase 12,hCDK12 |
2 | B, D | Cyclin-K | polymer | 268 | 31429.2 | 2 | UniProt (O75909) Pfam (PF00134) Pfam (PF21797) In PDB | Homo sapiens (Human) | |
3 | A, B, C | MAGNESIUM ION | non-polymer | 24.3 | 3 | Chemie (MG) | |||
4 | A, C | N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide | non-polymer | 440.5 | 2 | Chemie (8M1) | |||
5 | water | water | 18.0 | 38 | Chemie (HOH) |
Sequence modifications
A, C: 714 - 1063 (UniProt: Q9NYV4)
B, D: 1 - 267 (UniProt: O75909)
PDB | External Database | Details |
---|---|---|
Gly 713 | - | expression tag |
PDB | External Database | Details |
---|---|---|
Gly 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 144388.3 | |
Non-Polymers* | Number of molecules | 5 |
Total formula weight | 954.0 | |
All* | Total formula weight | 145342.3 |