› 5j1w

X-ray diffraction
2.42Å resolution

Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14)

Released:
DOI: 10.2210/pdb5j1w/pdb
PDB entry 5j1w coloured by chain, front view.
PDB entry 5j1w coloured by chain, side view.
PDB entry 5j1w coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Esvan YJ, Zeinyeh W, Boibessot T, Nauton L, Théry V, Knapp S, Chaikuad A, Loaëc N, Meijer L, Anizon F, Giraud F, Moreau P
Eur J Med Chem 118 170-7 (2016)
PMID: 27128181

Function and Biology Details

Reaction catalysed: 
ATP + L-seryl/L-threonyl/L-tyrosyl-[protein] = ADP + O-phospho-L-seryl/O-phospho-L-threonyl/O-phospho-L-tyrosyl-[protein]
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156010 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dual specificity protein kinase CLK1 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 339 amino acids
Theoretical weight: 39.58 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P49759 (Residues: 148-484; Coverage: 70%)
Gene names: CLK, CLK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand GOL 9 x GOL
Ligand 6FB 4 x 6FB
Ligand PO4 2 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 56.63Å b: 118.04Å c: 90.5Å
α: 90° β: 99.55° γ: 90°
R-values:
R R work R free
0.191 0.189 0.228
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

9 citation in other articles

Alternative RNA splicing modulates ribosomal composition and determines the spatial phenotype of glioblastoma cells.
Larionova et al. (2022)
8 more

1 mention without citation

Dual-Specificity, Tyrosine Phosphorylation-Regulated Kinases (DYRKs) and cdc2-Like Kinases (CLKs) in Human Disease, an Overview.
Lindberg et al. (2021)