3DDP

Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor CR8

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)	Cell division protein kinase 2	polymer	299	34143.5	2	UniProt (P24941) Pfam (PF00069)	Homo sapiens (Human)	p33 protein kinase
2	B, D (B, D)	Cyclin-A2	polymer	268	30847.5	2	UniProt (P30274) Pfam (PF00134) Pfam (PF02984)	Bos taurus (Bovine)	Cyclin-A
3	E, F (A, C)	(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol	non-polymer		431.5	2	Chemie (RC8)
4	G, H, I, J (A, B, C, D)	water	water		18.0	134	Chemie (HOH)

Sequence modifications

A, C: 1 - 298 (UniProt: P24941)

PDB	External Database	Details
Ser 0	-	expression tag

B, D: 171 - 432 (UniProt: P30274)

PDB	External Database	Details
His 433	-	expression tag
His 434	-	expression tag
His 435	-	expression tag
His 436	-	expression tag
His 437	-	expression tag
His 438	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	129982.1
Non-Polymers*	Number of molecules	2
	Total formula weight	863.1
All*	Total formula weight	130845.2

*Water molecules are not included.