› 3lm5

X-ray diffraction
2.29Å resolution

Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin

Released:
DOI: 10.2210/pdb3lm5/pdb
PDB entry 3lm5 coloured by chain, front view.
PDB entry 3lm5 coloured by chain, side view.
PDB entry 3lm5 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
UniProt:
  • Canonical: O94768 (Residues: 25-329; Coverage: 82%)
Gene names: DRAK2, STK17B
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P4122
Unit cell:
a: 83.38Å b: 83.38Å c: 115.3Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.2 0.281
Expression system: Escherichia coli

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Citations

7 citation in other articles

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

10 mentions without citation

Prospects for circumventing aminoglycoside kinase mediated antibiotic resistance.
Shi et al. (2013)
9 more