9JK1
Crystal structure of CDK12/Cyclin K in complex with covalent inhibitor YJZ5118
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C (A, B) | Cyclin-dependent kinase 12 | polymer | 340 | 39629.8 | 2 | UniProt (Q9NYV4) Pfam (PF00069) | 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 (D, C) | Cyclin-K | polymer | 269 | 31500.3 | 2 | UniProt (O75909) Pfam (PF00134) Pfam (PF21797) | Homo sapiens (human) | |
| 3 | E, H (A, D) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 4 | F, I (A, B) | N-[5-[[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-[(phenylmethyl)carbamoyl]amino]-2-[4-(dimethylamino)piperidin-1-yl]phenyl]propanamide | non-polymer | 622.8 | 2 | Chemie (A1EB3) | |||
| 5 | G (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 6 | J (C) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 7 | K, L (A, B) | water | water | 18.0 | 5 | Chemie (HOH) |
Sequence modifications
A, B: 715 - 1052 (UniProt: Q9NYV4)
D, C: 1 - 267 (UniProt: O75909)
| PDB | External Database | Details |
|---|---|---|
| Gly 713 | - | expression tag |
| Ala 714 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Ala 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 142260.1 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1500.2 | |
| All* | Total formula weight | 143760.2 |
