4BCF

Structure of CDK9 in complex with cyclin T 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	CYCLIN-DEPENDENT KINASE 9	polymer	331	38068.1	1	UniProt (P50750) Pfam (PF00069) In PDB	HOMO SAPIENS (HUMAN)	C-2K, CELL DIVISION CYCLE 2-LIKE PROTEIN KINASE 4, CELL DIVISION PROTEIN KINASE 9, SERINE/THREONINE-PROTEIN KINASE PITALRE, TAT-ASSOCIATED KINASE COMPLEX CATALYTIC SUBUNIT
2	B	CYCLIN-T1	polymer	260	30119.4	1	UniProt (O60563) Pfam (PF00134) Pfam (PF21797) In PDB	HOMO SAPIENS (HUMAN)	CYCT1, CYCLIN-T
3	A	2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile	non-polymer		462.6	1	Chemie (T6Q)
4		water	water		18.0	14	Chemie (HOH)

Sequence modifications

A: 2 - 330 (UniProt: P50750)

PDB	External Database	Details
Gly 0	-	expression tag
Pro 1	-	expression tag
Ala 97	Gly 77	conflict

B: 2 - 259 (UniProt: O60563)

PDB	External Database	Details
Gly 0	-	expression tag
Pro 1	-	expression tag
Arg 77	Gln 77	engineered mutation
Gly 96	Glu 96	engineered mutation
Leu 241	Phe 241	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	68187.5
Non-Polymers*	Number of molecules	1
	Total formula weight	462.6
All*	Total formula weight	68650.1

*Water molecules are not included.