2X1N

Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design

Replaces:  2WHA

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	298	33976.5	2	UniProt (P24941) Pfam (PF00069)	HOMO SAPIENS (HUMAN)	CYCLIN-DEPENDENT KINASE 2, P33 PROTEIN KINASE
2	B, D (B, D)	CYCLIN-A2	polymer	261	29966.6	2	UniProt (P20248) Pfam (PF00134) Pfam (PF02984)	HOMO SAPIENS (HUMAN)	CYCLIN-A
3	E (H)	ACE-LEU-ASN-PFF-NH2	polymer	5	434.5	1		SYNTHETIC CONSTRUCT
4	F, G (A, C)	2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4,5-DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE	non-polymer		339.4	2	Chemie (X1N)
5	H, I, J, K, L (A, B, C, D, H)	water	water		18.0	86	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	128320.7
Non-Polymers*	Number of molecules	2
	Total formula weight	678.7
All*	Total formula weight	128999.5

*Water molecules are not included.