2IW6

STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR

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	302	34326.7	2	UniProt (P24941) Pfam (PF00069)	HOMO SAPIENS (HUMAN)	CYCLIN DEPENDENT KINASE 2, P33 PROTEIN KINASE
2	B, D (B, D)	CYCLIN-A2	polymer	260	29884.6	2	UniProt (P20248) Pfam (PF00134) Pfam (PF02984)	HOMO SAPIENS (HUMAN)	HUMAN CYCLIN A, CYCLIN-A
3	E, H (A, C)	[(2-CHLORO-5-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO]ACETONITRILE	non-polymer		467.0	2	Chemie (QQ2)
4	F, I (B, D)	MONOTHIOGLYCEROL	non-polymer		108.2	2	Chemie (SGM)
5	G (B)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
6	J, K, L, M (A, B, C, D)	water	water		18.0	114	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Gly -3	-	expression tag
Pro -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Thr 89	Lys 89	engineered mutation

B, D: 174 - 432 (UniProt: P20248)

PDB	External Database	Details
Met 173	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	128422.6
Non-Polymers*	Number of molecules	5
	Total formula weight	1174.5
All*	Total formula weight	129597.1

*Water molecules are not included.