4BCQ

Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine 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	CYCLIN-DEPENDENT KINASE 2	polymer	301	34297.7	2	UniProt (P24941) Pfam (PF00069) In PDB	HOMO SAPIENS (HUMAN)	2.7.11.22, CELL DIVISION PROTEIN KINASE 2, P33 PROTEIN KINASE
2	B	CYCLIN-A2	polymer	262	30055.7	1	UniProt (P30274) Pfam (PF00134) Pfam (PF02984) In PDB	BOS TAURUS (CATTLE)	CYCLIN-A
3	D	CYCLIN-A2	polymer	262	30063.7	1	UniProt (P30274) Pfam (PF00134) Pfam (PF02984) In PDB	BOS TAURUS (CATTLE)	CYCLIN-A
4	A, C	4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile	non-polymer		435.5	2	Chemie (TJF)
5		water	water		18.0	331	Chemie (HOH)

Sequence modifications

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

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

B: 171 - 431 (UniProt: P30274)

PDB	External Database	Details
Leu 432	-	expression tag
Thr 303	Ala 301	conflict
Val 311	Ile 309	conflict
Ile 377	Val 375	conflict
Arg 378	Gln 376	conflict
Ser 387	Leu 385	conflict
Met 391	Leu 389	conflict
Lys 400	Arg 398	conflict

D: 171 - 432 (UniProt: P30274)

PDB	External Database	Details
Thr 303	Ala 301	conflict
Val 311	Ile 309	conflict
Ile 377	Val 375	conflict
Arg 378	Gln 376	conflict
Ser 386	Thr 384	conflict
Met 390	Cys 388	conflict
Lys 400	Arg 398	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	128714.9
Non-Polymers*	Number of molecules	2
	Total formula weight	871.0
All*	Total formula weight	129585.9

*Water molecules are not included.