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

Structure

x-ray diffraction · 2 distinct chains.

Ligands and binding sites

• 8M1 · N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide · ligand · 2 copies · chains A, C
• MG · Magnesium ion · metal · 3 copies · chains A, B, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

• 6CKX · Structure of CDK12/CycK in complex with a small molecule inhibitor… · the same entry in another collection · chain D against D, TM-score 1.00
• Q9NYV4 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 12 (Q9NYV4) · a predicted model of the same protein · chain A against A, TM-score 0.99
• O75909 · AlphaFold monomer V2.0 prediction for cyclin-K (O75909) · a predicted model of the same protein · chain D against A, TM-score 0.98

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q9NYV4
• Every structure of UniProt O75909
• Elsewhere: RCSB PDB 6CKX · PDBe 6CKX · UniProt Q9NYV4 · UniProt O75909