+Open data
-Basic information
Entry | Database: PDB / ID: 5drb | ||||||
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Title | Crystal structure of WNK1 in complex with WNK463 | ||||||
Components | Serine/threonine-protein kinase WNK1 | ||||||
Keywords | TRANSFERASE/TRANSFERASE INHIBITOR / kinase / inhibitor / complex / TRANSFERASE-TRANSFERASE INHIBITOR complex | ||||||
Function / homology | Function and homology information negative regulation of cell-cell adhesion mediated by integrin / lymphocyte migration into lymph node / chemokine (C-C motif) ligand 21 signaling pathway / positive regulation of termination of RNA polymerase II transcription / monoatomic cation homeostasis / negative regulation of pancreatic juice secretion / protein insertion into ER membrane by stop-transfer membrane-anchor sequence / positive regulation of mitotic cytokinesis / monoatomic ion homeostasis / negative regulation of sodium ion transport ...negative regulation of cell-cell adhesion mediated by integrin / lymphocyte migration into lymph node / chemokine (C-C motif) ligand 21 signaling pathway / positive regulation of termination of RNA polymerase II transcription / monoatomic cation homeostasis / negative regulation of pancreatic juice secretion / protein insertion into ER membrane by stop-transfer membrane-anchor sequence / positive regulation of mitotic cytokinesis / monoatomic ion homeostasis / negative regulation of sodium ion transport / positive regulation of potassium ion import across plasma membrane / regulation of mRNA export from nucleus / regulation of sodium ion transmembrane transport / intracellular chloride ion homeostasis / negative regulation of heterotypic cell-cell adhesion / non-membrane-bounded organelle assembly / positive regulation of T cell chemotaxis / positive regulation of systemic arterial blood pressure / potassium channel inhibitor activity / potassium ion homeostasis / cellular hyperosmotic response / cellular response to chemokine / protein serine/threonine kinase inhibitor activity / negative regulation of leukocyte cell-cell adhesion / regulation of monoatomic cation transmembrane transport / cell volume homeostasis / negative regulation of protein localization to plasma membrane / intracellular non-membrane-bounded organelle / protein kinase activator activity / sodium ion transmembrane transport / GABA-ergic synapse / phosphatase binding / monoatomic ion transport / regulation of sodium ion transport / negative regulation of protein ubiquitination / cellular response to calcium ion / molecular condensate scaffold activity / negative regulation of autophagy / modulation of chemical synaptic transmission / mitotic spindle / regulation of blood pressure / positive regulation of canonical Wnt signaling pathway / positive regulation of angiogenesis / heart development / T cell receptor signaling pathway / non-specific serine/threonine protein kinase / protein kinase activity / intracellular signal transduction / protein phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / protein kinase binding / magnesium ion binding / signal transduction / protein-containing complex / ATP binding / membrane / nucleus / cytosol / cytoplasm Similarity search - Function | ||||||
Biological species | Rattus norvegicus (Norway rat) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 1.65 Å | ||||||
Authors | Kohls, D. / Xie, X. | ||||||
Citation | Journal: Nat.Chem.Biol. / Year: 2016 Title: Small-molecule WNK inhibition regulates cardiovascular and renal function. Authors: Yamada, K. / Park, H.M. / Rigel, D.F. / DiPetrillo, K. / Whalen, E.J. / Anisowicz, A. / Beil, M. / Berstler, J. / Brocklehurst, C.E. / Burdick, D.A. / Caplan, S.L. / Capparelli, M.P. / Chen, ...Authors: Yamada, K. / Park, H.M. / Rigel, D.F. / DiPetrillo, K. / Whalen, E.J. / Anisowicz, A. / Beil, M. / Berstler, J. / Brocklehurst, C.E. / Burdick, D.A. / Caplan, S.L. / Capparelli, M.P. / Chen, G. / Chen, W. / Dale, B. / Deng, L. / Fu, F. / Hamamatsu, N. / Harasaki, K. / Herr, T. / Hoffmann, P. / Hu, Q.Y. / Huang, W.J. / Idamakanti, N. / Imase, H. / Iwaki, Y. / Jain, M. / Jeyaseelan, J. / Kato, M. / Kaushik, V.K. / Kohls, D. / Kunjathoor, V. / LaSala, D. / Lee, J. / Liu, J. / Luo, Y. / Ma, F. / Mo, R. / Mowbray, S. / Mogi, M. / Ossola, F. / Pandey, P. / Patel, S.J. / Raghavan, S. / Salem, B. / Shanado, Y.H. / Trakshel, G.M. / Turner, G. / Wakai, H. / Wang, C. / Weldon, S. / Wielicki, J.B. / Xie, X. / Xu, L. / Yagi, Y.I. / Yasoshima, K. / Yin, J. / Yowe, D. / Zhang, J.H. / Zheng, G. / Monovich, L. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5drb.cif.gz | 77.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5drb.ent.gz | 55.4 KB | Display | PDB format |
PDBx/mmJSON format | 5drb.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/dr/5drb ftp://data.pdbj.org/pub/pdb/validation_reports/dr/5drb | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 33538.551 Da / Num. of mol.: 1 / Fragment: UNP residues 194-483 / Mutation: S382A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Rattus norvegicus (Norway rat) / Gene: Wnk1, Hsn2, Prkwnk1 / Production host: Escherichia coli (E. coli) References: UniProt: Q9JIH7, non-specific serine/threonine protein kinase |
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#2: Chemical | ChemComp-5FJ / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.18 Å3/Da / Density % sol: 43.5 % |
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Crystal grow | Temperature: 298 K / Method: evaporation / pH: 8 / Details: 100 mM Tris, pH 8.0, 16% PEG550 MME, 4% PEG3350 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 17-ID / Wavelength: 1 Å |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 13, 2010 |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.65→65.53 Å / Num. obs: 34584 / % possible obs: 99.4 % / Redundancy: 3.3 % / Net I/σ(I): 21.8 |
Reflection shell | Resolution: 1.65→1.69 Å / Redundancy: 2.5 % / Rmerge(I) obs: 0.403 / Mean I/σ(I) obs: 2.2 / % possible all: 98.1 |
-Processing
Software |
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Refinement | Method to determine structure: FOURIER SYNTHESIS / Resolution: 1.65→65.53 Å / SU ML: 0.19 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 27.05 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.65→65.53 Å
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Refine LS restraints |
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LS refinement shell |
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