› 2wu6

X-ray diffraction
1.92Å resolution

Crystal Structure of the Human CLK3 in complex with DKI

Released:
DOI: 10.2210/pdb2wu6/pdb
PDB entry 2wu6 coloured by chain, front view.
PDB entry 2wu6 coloured by chain, side view.
PDB entry 2wu6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Specific CLK inhibitors from a novel chemotype for regulation of alternative splicing.
Fedorov O, Huber K, Eisenreich A, Filippakopoulos P, King O, Bullock AN, Szklarczyk D, Jensen LJ, Fabbro D, Trappe J, Rauch U, Bracher F, Knapp S
Chem Biol 18 67-76 (2011)
PMID: 21276940

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-156013 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dual specificity protein kinase CLK3 Chain: A
Molecule details ›
Chain: A
Length: 381 amino acids
Theoretical weight: 44.79 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P49761 (Residues: 254-264, 265-632; Coverage: 59%)
Gene name: CLK3
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand DKI 1 x DKI
Ligand SO4 3 x SO4
Ligand DMS 3 x DMS
Ligand EDO 4 x EDO
Ligand CL 3 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: C2
Unit cell:
a: 89.15Å b: 62.33Å c: 74.15Å
α: 90° β: 96.04° γ: 90°
R-values:
R R work R free
0.172 0.17 0.211
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

20 review citations

The Halogen Bond.
Cavallo et al. (2016)
19 more

13 mentions without citation

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