4F6W

Crystal structure of human CDK8/CYCC in complex with compound 1 (N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide)

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 8	polymer	405	46990.8	1	UniProt (P49336) Pfam (PF00069) In PDB	Homo sapiens (human)	Cell division protein kinase 8, Mediator complex subunit CDK8, Mediator of RNA polymerase II transcription subunit CDK8, Protein kinase K35
2	B	Cyclin-C	polymer	287	33710.1	1	UniProt (P24863) Pfam (PF00134) Pfam (PF16899) In PDB	Homo sapiens (human)	SRB11 homolog, hSRB11
3	A	N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide	non-polymer		639.8	1	Chemie (0SS)
4	A	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
5	A, B	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
6	A, B	FORMIC ACID	non-polymer		46.0	5	Chemie (FMT)
7		water	water		18.0	150	Chemie (HOH)

Sequence modifications

A: 1 - 403 (UniProt: P49336)

PDB	External Database	Details
Asp -1	-	expression tag
Lys 0	-	expression tag

B: 1 - 283 (UniProt: P24863)

PDB	External Database	Details
Asp -3	-	expression tag
Asp -2	-	expression tag
Lys -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	80700.9
Non-Polymers*	Number of molecules	16
	Total formula weight	1506.7
All*	Total formula weight	82207.6

*Water molecules are not included.