PDBe 3mtl

X-ray diffraction
2.4Å resolution

Crystal structure of the PCTAIRE1 kinase in complex with Indirubin E804

Released:
Source organism: Homo sapiens
Entry authors: Krojer T, Sharpe TD, Roos A, Savitsky P, Amos A, Ayinampudi V, Berridge G, Fedorov O, Keates T, Phillips C, Burgess-Brown N, Zhang Y, Pike ACW, Muniz J, Vollmar M, Thangaratnarajah C, Rellos P, Ugochukwu E, Filippakopoulos P, Yue W, Das S, von Delft F, Edwards A, Arrowsmith CH, Weigelt J, Bountra C, Knapp S, Bullock A, Structural Genomics Consortium (SGC)

Function and Biology Details

Reaction catalysed:
ATP + a protein = ADP + a phosphoprotein. 
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyclin-dependent kinase 16 Chain: A
Molecule details ›
Chain: A
Length: 324 amino acids
Theoretical weight: 37.31 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q00536 (Residues: 163-478; Coverage: 64%)
Gene names: CDK16, PCTAIRE1, PCTK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P43212
Unit cell:
a: 47.39Å b: 47.39Å c: 341.31Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.194 0.263
Expression system: Escherichia coli