PDBe 4f6s

X-ray diffraction
2.6Å resolution

Crystal structure of human CDK8/CYCC in complex with compound 7 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea)

Released:
Source organism: Homo sapiens
Primary publication:
Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc. Natl. Acad. Sci. U.S.A. 110 8081-6 (2013)
PMID: 23630251

Function and Biology Details

Reactions catalysed:
ATP + [DNA-directed RNA polymerase] = ADP + [DNA-directed RNA polymerase] phosphate. 
ATP + a protein = ADP + a phosphoprotein. 

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Cyclin-C Chain: B
Molecule details ›
Chain: B
Length: 287 amino acids
Theoretical weight: 33.71 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P24863 (Residues: 1-283; Coverage: 100%)
Gene name: CCNC
Sequence domains:
Structure domains: Cyclin A; domain 1
Cyclin-dependent kinase 8 Chain: A
Molecule details ›
Chain: A
Length: 405 amino acids
Theoretical weight: 46.99 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P49336 (Residues: 1-403; Coverage: 87%)
Gene name: CDK8
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 71.036Å b: 71.395Å c: 171.719Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.205 0.203 0.26
Expression system: Spodoptera frugiperda