› 5tf9

X-ray diffraction
2.5Å resolution

Crystal structure of WNK1 in complex with Mn2+AMPPNP and WNK476

Released:
DOI: 10.2210/pdb5tf9/pdb
PDB entry 5tf9 coloured by chain, front view.
PDB entry 5tf9 coloured by chain, side view.
PDB entry 5tf9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and Characterization of Allosteric WNK Kinase Inhibitors.
Yamada K, Zhang JH, Xie X, Reinhardt J, Xie AQ, LaSala D, Kohls D, Yowe D, Burdick D, Yoshisue H, Wakai H, Schmidt I, Gunawan J, Yasoshima K, Yue QK, Kato M, Mogi M, Idamakanti N, Kreder N, Drueckes P, Pandey P, Kawanami T, Huang W, Yagi YI, Deng Z, Park HM
ACS Chem Biol 11 3338-3346 (2016)
PMID: 27712055

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-190604 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase WNK1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 279 amino acids
Theoretical weight: 31.89 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: Q9H4A3 (Residues: 206-483; Coverage: 12%)
Gene names: HSN2, KDP, KIAA0344, PRKWNK1, WNK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand 7AV 2 x 7AV
Ligand ANP 2 x ANP
Ligand MN 2 x MN
Ligand CA 1 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: C2
Unit cell:
a: 83.065Å b: 104.482Å c: 69.604Å
α: 90° β: 116.5° γ: 90°
R-values:
R R work R free
0.198 0.195 0.266
Expression system: Escherichia coli K-12

Quick links

Citations

5 review citations

WNK Kinase Signaling in Ion Homeostasis and Human Disease.
Shekarabi et al. (2017)
4 more

4 mentions without citation

Emerging Targets of Diuretic Therapy.
Cheng et al. (2017)
3 more