8P73

Cryo-EM structure of CAK in complex with inhibitor ICEC0829

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	H	CDK-activating kinase assembly factor MAT1	polymer	93	10234.5	1	UniProt (P51948) In PDB	Homo sapiens (human)	CDK7/cyclin-H assembly factor,Cyclin-G1-interacting protein,Menage a trois,RING finger protein 66,RING finger protein MAT1,p35,p36
2	I	Cyclin-H	polymer	324	37721.5	1	UniProt (P51946) Pfam (PF00134) Pfam (PF16899) In PDB	Homo sapiens (human)	MO15-associated protein,p34,p37
3	J	Cyclin-dependent kinase 7	polymer	349	39362.6	1	UniProt (P50613) Pfam (PF00069) In PDB	Homo sapiens (human)	39 kDa protein kinase,p39 Mo15,CDK-activating kinase 1,Cell division protein kinase 7,Serine/threonine-protein kinase 1,TFIIH basal transcription factor complex kinase subunit
4	J	(3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol	non-polymer		410.5	1	Chemie (X50)
5	J	(3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol	non-polymer		410.5	1	Chemie (X58)
6		water	water		18.0	67	Chemie (HOH)

Sequence modifications

H: 220 - 309 (UniProt: P51948)

PDB	External Database	Details
Ser 217	-	expression tag
Asn 218	-	expression tag
Ala 219	-	expression tag

I: 1 - 323 (UniProt: P51946)

PDB	External Database	Details
Ace 0	-	acetylation

J: 1 - 346 (UniProt: P50613)

PDB	External Database	Details
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	87318.6
Non-Polymers*	Number of molecules	2
	Total formula weight	821.0
All*	Total formula weight	88139.7

*Water molecules are not included.