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Open data
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Basic information
Entry | Database: PDB / ID: 4z7p | ||||||
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Title | X-ray structure of racemic ShK Q16K toxin | ||||||
![]() | Potassium channel toxin kappa-stichotoxin-She1a | ||||||
![]() | TOXIN / ShK toxin | ||||||
Function / homology | ShKT domain / ShKT domain profile. / nematocyst / potassium channel regulator activity / toxin activity / defense response to bacterium / extracellular region / Kappa-stichotoxin-She3a![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() ![]() | ||||||
![]() | Sickmier, E.A. | ||||||
![]() | ![]() Title: Pharmaceutical Optimization of Peptide Toxins for Ion Channel Targets: Potent, Selective, and Long-Lived Antagonists of Kv1.3. Authors: Murray, J.K. / Qian, Y.X. / Liu, B. / Elliott, R. / Aral, J. / Park, C. / Zhang, X. / Stenkilsson, M. / Salyers, K. / Rose, M. / Li, H. / Yu, S. / Andrews, K.L. / Colombero, A. / Werner, J. ...Authors: Murray, J.K. / Qian, Y.X. / Liu, B. / Elliott, R. / Aral, J. / Park, C. / Zhang, X. / Stenkilsson, M. / Salyers, K. / Rose, M. / Li, H. / Yu, S. / Andrews, K.L. / Colombero, A. / Werner, J. / Gaida, K. / Sickmier, E.A. / Miu, P. / Itano, A. / McGivern, J. / Gegg, C.V. / Sullivan, J.K. / Miranda, L.P. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 26.1 KB | Display | ![]() |
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PDB format | ![]() | 19.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 417 KB | Display | ![]() |
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Full document | ![]() | 417 KB | Display | |
Data in XML | ![]() | 3.8 KB | Display | |
Data in CIF | ![]() | 4.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein/peptide | Mass: 4070.943 Da / Num. of mol.: 1 / Mutation: Q16K / Source method: obtained synthetically / Source: (synth.) ![]() | ||
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#2: Chemical | ChemComp-SO4 / #3: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.9 Å3/Da / Density % sol: 35.38 % |
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Crystal grow | Temperature: 292 K / Method: vapor diffusion, hanging drop Details: 0.1 M sodium acetate pH 4.5, 2-2.5 M ammonium sulfate |
-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: ![]() ![]() ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Mar 15, 2009 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 1.2→50 Å / Num. obs: 18716 / % possible obs: 99.4 % / Redundancy: 5.3 % / Rmerge(I) obs: 0.061 / Χ2: 1.013 / Net I/av σ(I): 22.419 / Net I/σ(I): 10 / Num. measured all: 98807 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1 / Rejects: _
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-Phasing
Phasing | Method: ![]() |
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Processing
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Refinement | Method to determine structure: ![]() Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 58.25 Å2 / Biso mean: 16.774 Å2 / Biso min: 7.71 Å2
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Refinement step | Cycle: final / Resolution: 1.2→30.39 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.2→1.231 Å / Total num. of bins used: 20
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