6GU3

CDK1/CyclinB/Cks2 in complex with AZD5438

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 1	polymer	302	34553.9	1	UniProt (P06493) Pfam (PF00069)	Homo sapiens (Human)	CDK1,Cell division control protein 2 homolog,Cell division protein kinase 1,p34 protein kinase
2	B (B)	G2/mitotic-specific cyclin-B1	polymer	273	31369.7	1	UniProt (P14635) Pfam (PF00134) Pfam (PF02984)	Homo sapiens (Human)
3	C (C)	Cyclin-dependent kinases regulatory subunit 2	polymer	84	10290.8	1	UniProt (P33552) Pfam (PF01111)	Homo sapiens (Human)	CKS-2
4	D (A)	4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine	non-polymer		371.5	1	Chemie (FB8)
5	E, F, G (A, B, C)	water	water		18.0	62	Chemie (HOH)

Sequence modifications

A: 1 - 297 (UniProt: P06493)

PDB	External Database	Details
Gly -4	-	expression tag
Pro -3	-	expression tag
Leu -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

B: 164 - 432 (UniProt: P14635)

PDB	External Database	Details
Gly 160	-	expression tag
Ser 161	-	expression tag
His 162	-	expression tag
Met 163	-	expression tag
Ser 166	Cys 167	engineered mutation
Ser 237	Cys 238	engineered mutation
Ser 349	Cys 350	engineered mutation

C: 1 - 79 (UniProt: P33552)

PDB	External Database	Details
Gly -4	-	expression tag
Pro -3	-	expression tag
Leu -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	76214.4
Non-Polymers*	Number of molecules	1
	Total formula weight	371.5
All*	Total formula weight	76585.8

*Water molecules are not included.