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Open data
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Basic information
Entry | Database: PDB / ID: 2n1n | ||||||
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Title | Solution structure of VSTx1 | ||||||
![]() | Kappa-theraphotoxin-Gr3a | ||||||
![]() | TOXIN | ||||||
Function / homology | ![]() ion channel inhibitor activity / potassium channel regulator activity / sodium channel regulator activity / toxin activity / extracellular region Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / torsion angle dynamics | ||||||
Model details | lowest energy, model1 | ||||||
![]() | Lau, H.Y. / King, G.F. / Mobli, M. | ||||||
![]() | ![]() Title: Molecular basis of the interaction between gating modifier spider toxins and the voltage sensor of voltage-gated ion channels. Authors: Lau, C.H. / King, G.F. / Mobli, M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 245.6 KB | Display | ![]() |
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PDB format | ![]() | 213.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 398.5 KB | Display | ![]() |
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Full document | ![]() | 462 KB | Display | |
Data in XML | ![]() | 10.3 KB | Display | |
Data in CIF | ![]() | 17.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-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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NMR ensembles |
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Components
#1: Protein/peptide | Mass: 4096.843 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Production host: ![]() ![]() |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||
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NMR experiment |
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Sample preparation
Details | Contents: 20 mM sodium acetate, 1.7 mM [U-99% 13C; U-99% 15N] VSTx1, 95% H2O/5% D2O Solvent system: 95% H2O/5% D2O | ||||||||||||
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Sample |
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Sample conditions | Ionic strength: 0 / pH: 5 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker Avance / Manufacturer: Bruker / Model: Avance / Field strength: 900 MHz |
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Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 1 / Details: Simulated annealing, with automated NOE assignment | ||||||||||||||||||||||||||||
NMR constraints | NOE constraints total: 694 / NOE intraresidue total count: 193 / NOE long range total count: 179 / NOE medium range total count: 116 / NOE sequential total count: 206 / Disulfide bond constraints total count: 3 / Hydrogen bond constraints total count: 2 | ||||||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: target function / Conformers calculated total number: 200 / Conformers submitted total number: 20 |