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)

PDB	External Database	Details
Gly 713	-	expression tag

B, D: 1 - 267 (UniProt: O75909)

PDB	External Database	Details
Gly 0	-	expression tag

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

*Water molecules are not included.