› 5acb

X-ray diffraction
2.7Å resolution

Crystal Structure of the Human Cdk12-Cyclink Complex

Released:
DOI: 10.2210/pdb5acb/pdb
PDB entry 5acb coloured by chain, front view.
PDB entry 5acb coloured by chain, side view.
PDB entry 5acb coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Covalent targeting of remote cysteine residues to develop CDK12 and CDK13 inhibitors.
Zhang T, Kwiatkowski N, Olson CM, Dixon-Clarke SE, Abraham BJ, Greifenberg AK, Ficarro SB, Elkins JM, Liang Y, Hannett NM, Manz T, Hao M, Bartkowiak B, Greenleaf AL, Marto JA, Geyer M, Bullock AN, Young RA, Gray NS
Nat Chem Biol 12 876-84 (2016)
PMID: 27571479

Function and Biology Details

Reactions catalysed: 
ATP + a protein = ADP + a phosphoprotein
ATP + [DNA-directed RNA polymerase] = ADP + [DNA-directed RNA polymerase] phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-131171 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Cyclin-K Chains: A, B
Molecule details ›
Chains: A, B
Length: 259 amino acids
Theoretical weight: 30.44 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O75909 (Residues: 11-267; Coverage: 44%)
Gene names: CCNK, CPR4
Sequence domains:
Structure domains: Cyclin-like
Cyclin-dependent kinase 12 Chains: C, D
Molecule details ›
Chains: C, D
Length: 340 amino acids
Theoretical weight: 39.72 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9NYV4 (Residues: 715-1052; Coverage: 23%)
Gene names: CDK12, CRK7, CRKRS, KIAA0904
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 5I1 2 x 5I1
1 modified residue:
Ligand TPO 2 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 49.78Å b: 148.69Å c: 91.58Å
α: 90° β: 93.81° γ: 90°
R-values:
R R work R free
0.223 0.221 0.262
Expression system: Spodoptera frugiperda

Quick links

Citations

49 review citations

Transcriptional Addiction in Cancer.
Bradner et al. (2017)
48 more

13 mentions without citation

Structural insights into the functional diversity of the CDK-cyclin family.
Wood et al. (2018)
12 more