› 6y6f

X-ray diffraction
1.98Å resolution

Crystal structure of STK17B (DRAK2) in complex with PKIS43

Released:
DOI: 10.2210/pdb6y6f/pdb
PDB entry 6y6f coloured by chain, front view.
PDB entry 6y6f coloured by chain, side view.
PDB entry 6y6f coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
Picado A, Chaikuad A, Wells CI, Shrestha S, Zuercher WJ, Pickett JE, Kwarcinski FE, Sinha P, de Silva CS, Zutshi R, Liu S, Kannan N, Knapp S, Drewry DH, Willson TM
J Med Chem 63 14626-14646 (2020)
PMID: 33215924

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-131752 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase 17B Chain: A
Molecule details ›
Chain: A
Length: 327 amino acids
Theoretical weight: 37.33 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O94768 (Residues: 25-329; Coverage: 82%)
Gene names: DRAK2, STK17B
Sequence domains: Protein kinase domain

Ligands and Environments

2 bound ligands:
Ligand OD2 1 x OD2
Ligand EDO 4 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: P4122
Unit cell:
a: 83.65Å b: 83.65Å c: 114.72Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.182 0.223
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 citation in other articles

AD Informer Set: Chemical tools to facilitate Alzheimer's disease drug discovery.
Potjewyd et al. (2022)
5 more

3 mentions without citation

A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
Picado et al. (2020)
2 more