8K5R

CDK9/cyclin T1 in complex with KB-0742

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	330	38057.0	1	UniProt (P50750) Pfam (PF00069) In PDB	Homo sapiens (human)
2	B	Cyclin-T1	polymer	259	30038.4	1	UniProt (O60563) Pfam (PF00134) Pfam (PF21797) In PDB	Homo sapiens (human)
3	A	(1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine	non-polymer		287.4	1	Chemie (VQE)

Sequence modifications

A: 1 - 330 (UniProt: P50750)

PDB	External Database	Details
Asp 7	Ser 7	engineered mutation
Asn 8	Val 8	engineered mutation
Arg 44	Lys 44	engineered mutation
Phe 138	Tyr 138	engineered mutation
Ala 280	Lys 280	engineered mutation
Glu 307	Asp 307	engineered mutation
Glu 311	Asn 311	engineered mutation

B: 1 - 259 (UniProt: O60563)

PDB	External Database	Details
Ala 26	Arg 26	engineered mutation
Arg 77	Gln 77	engineered mutation
Gly 96	Glu 96	engineered mutation
Arg 106	Lys 106	engineered mutation
Leu 241	Phe 241	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	68095.4
Non-Polymers*	Number of molecules	1
	Total formula weight	287.4
All*	Total formula weight	68382.8

*Water molecules are not included.