7NXJ

Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531

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, C)	Cyclin-dependent kinase 13	polymer	347	40521.9	2	UniProt (Q14004) Pfam (PF00069)	Homo sapiens (Human)	CDC2-related protein kinase 5,Cell division cycle 2-like protein kinase 5,Cell division protein kinase 13,hCDK13,Cholinesterase-related cell division controller
2	B, D (B, D)	Cyclin-K	polymer	268	31429.2	2	UniProt (O75909) Pfam (PF00134) Pfam (PF21797)	Homo sapiens (Human)
3	E, F (A, C)	N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide	non-polymer		560.1	2	Chemie (5I1)
4	G, H, I, J (A, B, C, D)	water	water		18.0	83	Chemie (HOH)

Sequence modifications

A, C: 694 - 1039 (UniProt: Q14004)

PDB	External Database	Details
Gly 693	-	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	143902.1
Non-Polymers*	Number of molecules	2
	Total formula weight	1120.2
All*	Total formula weight	145022.3

*Water molecules are not included.