+Open data
-Basic information
Entry | Database: PDB / ID: 6chc | ||||||
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Title | JzTx-V toxin peptide, wild-type | ||||||
Components | Beta/kappa-theraphotoxin-Cg2a | ||||||
Keywords | TOXIN / JzTx-V wild type peptide toxin | ||||||
Function / homology | sodium channel regulator activity / potassium channel regulator activity / toxin activity / extracellular region / Beta/kappa-theraphotoxin-Cg2a Function and homology information | ||||||
Biological species | Chilobrachys guangxiensis (spider) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Authors | Jordan, J.B. | ||||||
Citation | Journal: PLoS ONE / Year: 2018 Title: Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V. Authors: Moyer, B.D. / Murray, J.K. / Ligutti, J. / Andrews, K. / Favreau, P. / Jordan, J.B. / Lee, J.H. / Liu, D. / Long, J. / Sham, K. / Shi, L. / Stocklin, R. / Wu, B. / Yin, R. / Yu, V. / Zou, A. ...Authors: Moyer, B.D. / Murray, J.K. / Ligutti, J. / Andrews, K. / Favreau, P. / Jordan, J.B. / Lee, J.H. / Liu, D. / Long, J. / Sham, K. / Shi, L. / Stocklin, R. / Wu, B. / Yin, R. / Yu, V. / Zou, A. / Biswas, K. / Miranda, L.P. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6chc.cif.gz | 116.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6chc.ent.gz | 101 KB | Display | PDB format |
PDBx/mmJSON format | 6chc.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ch/6chc ftp://data.pdbj.org/pub/pdb/validation_reports/ch/6chc | HTTPS FTP |
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-Related structure data
Related structure data | 6cgwC C: citing same article (ref.) |
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Similar structure data | |
Other databases |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 3758.600 Da / Num. of mol.: 1 / Fragment: UNP residues 53-82 / Source method: obtained synthetically / Details: Pra-[Nle6]JzTx-V(1-29) / Source: (synth.) Chilobrachys guangxiensis (spider) / References: UniProt: Q2PAY4 |
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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: 5 mg/mL JzTx-V toxin peptide, wild type, 90% H2O/10% D2O Label: sample_1 / Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 5 mg/mL / Component: JzTx-V toxin peptide, wild type / Isotopic labeling: natural abundance |
Sample conditions | Ionic strength: 70 mM / Label: Conditions_1 / pH: 7 / Pressure: 760 Torr / Temperature: 298 K |
-NMR measurement
NMR spectrometer |
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-Processing
NMR software |
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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: 100 / Conformers submitted total number: 10 |