› 6ytd

X-ray diffraction
2Å resolution

CLK1 V324A mutant bound with benzothiazole Tg003 (Cpd 2)

Released:
DOI: 10.2210/pdb6ytd/pdb
PDB entry 6ytd coloured by chain, front view.
PDB entry 6ytd coloured by chain, side view.
PDB entry 6ytd coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
Schröder M, Bullock AN, Fedorov O, Bracher F, Chaikuad A, Knapp S
J Med Chem 63 10224-10234 (2020)
PMID: 32787076

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 Chain: A
Molecule details ›
Chain: A
Length: 339 amino acids
Theoretical weight: 39.55 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P49759 (Residues: 148-484; Coverage: 70%)
Gene names: CLK, CLK1
Sequence domains: Protein kinase domain

Ligands and Environments

1 bound ligand:
Ligand EAE 1 x EAE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Unit cell:
a: 80.917Å b: 64.702Å c: 89.344Å
α: 90° β: 114.74° γ: 90°
R-values:
R R work R free
0.182 0.179 0.228
Expression system: Escherichia coli

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Citations

3 review citations

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