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Open data
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Basic information
Entry | Database: PDB / ID: 5tcz | ||||||
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Title | NMR solution structure of engineered Protoxin-II analog | ||||||
![]() | Beta/omega-theraphotoxin-Tp2a | ||||||
![]() | TOXIN / venom peptide analog / inhibitor / cystine knot | ||||||
Function / homology | calcium channel regulator activity / sodium channel regulator activity / toxin activity / lipid binding / extracellular region / Beta/omega-theraphotoxin-Tp2a![]() | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
![]() | Gibbs, A.C. / Wickenden, A.D. | ||||||
![]() | ![]() Title: Insensitivity to pain induced by a potent selective closed-state Nav1.7 inhibitor. Authors: Flinspach, M. / Xu, Q. / Piekarz, A.D. / Fellows, R. / Hagan, R. / Gibbs, A. / Liu, Y. / Neff, R.A. / Freedman, J. / Eckert, W.A. / Zhou, M. / Bonesteel, R. / Pennington, M.W. / Eddinger, K. ...Authors: Flinspach, M. / Xu, Q. / Piekarz, A.D. / Fellows, R. / Hagan, R. / Gibbs, A. / Liu, Y. / Neff, R.A. / Freedman, J. / Eckert, W.A. / Zhou, M. / Bonesteel, R. / Pennington, M.W. / Eddinger, K.A. / Yaksh, T.L. / Hunter, M. / Swanson, R.V. / Wickenden, A.D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 207.7 KB | Display | ![]() |
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PDB format | ![]() | 179.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 406.6 KB | Display | ![]() |
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Full document | ![]() | 519 KB | Display | |
Data in XML | ![]() | 12.2 KB | Display | |
Data in CIF | ![]() | 20.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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: 3862.721 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) ![]() |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||
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NMR experiment |
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Sample preparation
Details | Type: solution / Contents: 1.51 mM JNJ63955918, 90% H2O/10% D2O / Label: 1H_sample / Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 1.51 mM / Component: JNJ63955918 / Isotopic labeling: natural abundance |
Sample conditions | Ionic strength: 20 mM / Label: conditions_1 / pH: 6.7 / Pressure: 1 atm / Temperature: 305.56 K |
-NMR measurement
NMR spectrometer | Type: Bruker Avance / Manufacturer: Bruker / Model: Avance / Field strength: 950 MHz |
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Processing
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Refinement | Method: simulated annealing / Software ordinal: 1 | ||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 500 / Conformers submitted total number: 20 |