3QHW

Structure of a pCDK2/CyclinA transition-state mimic

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	33981.3	2	UniProt (P24941) Pfam (PF00069)	Homo sapiens (human)	p33 protein kinase
2	B, D (B, D)	Cyclin-A2	polymer	261	29836.4	2	UniProt (P51943) Pfam (PF00134) Pfam (PF02984)	Mus musculus (mouse)	Cyclin-A
3	E, F, G, H (J, K, L, M)	CDK2 substrate peptide: PKTPKKAKKL	polymer	10	1143.5	4
4	I, O (A, C)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
5	J, K, P, Q (A, C)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
6	L, R (A, C)	TRIFLUOROMAGNESATE	non-polymer		81.3	2	Chemie (MGF)
7	M, S (A, C)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
8	N, T (B, D)	(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL	non-polymer		154.3	2	Chemie (DTU)
9	AA, BA, U, V, W... (L, M, A, B, C...)	water	water		18.0	793	Chemie (HOH)

Sequence modifications

A, C: 1 - 296 (UniProt: P24941)

PDB	External Database	Details
Gly -1	-	expression tag
His 0	-	expression tag

B, D: 173 - 432 (UniProt: P51943)

PDB	External Database	Details
Ser 172	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	132209.3
Non-Polymers*	Number of molecules	12
	Total formula weight	1493.6
All*	Total formula weight	133702.9

*Water molecules are not included.