› 5wdy

X-ray diffraction
2.46Å resolution

Crystal structure of WNK1 in complex with 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine (compound 6)

Released:
DOI: 10.2210/pdb5wdy/pdb
PDB entry 5wdy coloured by chain, front view.
PDB entry 5wdy coloured by chain, side view.
PDB entry 5wdy coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
Yamada K, Levell J, Yoon T, Kohls D, Yowe D, Rigel DF, Imase H, Yuan J, Yasoshima K, DiPetrillo K, Monovich L, Xu L, Zhu M, Kato M, Jain M, Idamakanti N, Taslimi P, Kawanami T, Argikar UA, Kunjathoor V, Xie X, Yagi YI, Iwaki Y, Robinson Z, Park HM
J Med Chem 60 7099-7107 (2017)
PMID: 28771350

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
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

3 bound ligands:
Ligand ANP 2 x ANP
Ligand A6S 2 x A6S
Ligand MN 3 x MN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-BM
Spacegroup: P1
Unit cell:
a: 34.334Å b: 62.267Å c: 70.268Å
α: 67.13° β: 77.42° γ: 74.74°
R-values:
R R work R free
0.23 0.228 0.285
Expression system: Escherichia coli

Quick links

Citations

7 review citations

WNK-SPAK/OSR1-NCC kinase signaling pathway as a novel target for the treatment of salt-sensitive hypertension.
Brown et al. (2021)
6 more

1 mention without citation

Recent applications of computational methods to allosteric drug discovery.
Govindaraj et al. (2022)