5L2W

The X-ray co-crystal structure of human CDK2/CyclinE and Dinaciclib.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Cyclin-dependent kinase 2	polymer	299	34143.5	1	UniProt (P24941) Pfam (PF00069)	Homo sapiens (Human)	Cell division protein kinase 2,p33 protein kinase
2	B (B)	G1/S-specific cyclin-E1	polymer	307	35690.3	1	UniProt (P24864) Pfam (PF00134) Pfam (PF02984)	Homo sapiens (Human)
3	C (A)	3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium	non-polymer		397.5	1	Chemie (1QK)
4	D (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	E, F (A, B)	water	water		18.0	75	Chemie (HOH)

Sequence modifications

A: 1 - 298 (UniProt: P24941)

PDB	External Database	Details
Ser 0	-	expression tag

B: 81 - 363 (UniProt: P24864)

PDB	External Database	Details
Met 57	-	initiating methionine
Ala 58	-	expression tag
Ser 59	-	expression tag
His 60	-	expression tag
His 61	-	expression tag
His 62	-	expression tag
His 63	-	expression tag
His 64	-	expression tag
His 65	-	expression tag
Asp 66	-	expression tag
Tyr 67	-	expression tag
Asp 68	-	expression tag
Gly 69	-	expression tag
Ala 70	-	expression tag
Thr 71	-	expression tag
Thr 72	-	expression tag
Glu 73	-	expression tag
Asn 74	-	expression tag
Leu 75	-	expression tag
Tyr 76	-	expression tag
Phe 77	-	expression tag
Gln 78	-	expression tag
Gly 79	-	expression tag
Ser 80	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	69833.8
Non-Polymers*	Number of molecules	2
	Total formula weight	489.6
All*	Total formula weight	70323.4

*Water molecules are not included.