› 6z2v

X-ray diffraction
2.6Å resolution

CLK3 A319V mutant bound with beta-carboline KH-CARB13 (Cpd 3)

Released:
DOI: 10.2210/pdb6z2v/pdb
PDB entry 6z2v coloured by chain, front view.
PDB entry 6z2v coloured by chain, side view.
PDB entry 6z2v 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-156013 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dual specificity protein kinase CLK3 Chain: A
Molecule details ›
Chain: A
Length: 360 amino acids
Theoretical weight: 42.35 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P49761 (Residues: 275-632; Coverage: 56%)
Gene name: CLK3
Sequence domains: Protein kinase domain

Ligands and Environments

3 bound ligands:
Ligand KHC 1 x KHC
Ligand K 1 x K
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Unit cell:
a: 84.376Å b: 45.393Å c: 106.334Å
α: 90° β: 111.16° γ: 90°
R-values:
R R work R free
0.205 0.202 0.264
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