CCP4i2 demo data: Inhibitor-bound ternary complex of CDK1, Cyclin B1 and CKS2

A ternary complex of CDK1 bound to Cyclin B1 and CKS2, bound to a pyrazole inhibitor

Data files

• 1hck.pdbChain A is monomeric CDK2, i.e. inactive conformation
• 1jst.pdbChain A is CDK2 in complex with Cyclin A, i.e. in active conformation
• 1buh.pdbCKS1 in complex with CDK2
• 2b9r.pdbChains are all human cyclin B1
• CDK1CyclinBCKS2Compound23.mtz
• P06493.fastaSequence of human CDK2: crystallised species had an N-terminal GPLGS proteolysis artefact
• P14635.fastaSequence of human Cyclin B1: crystallised species was untagged residues 175-432
• P33552.fastaSequence of human CKS2: crystallised species added a C-terminal hexahistidine tag
The ligand for this structure looks as follows: