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Yorodumi- PDB-2nbc: Resonance assignments and structure determination of poneritoxin,... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2nbc | ||||||
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Title | Resonance assignments and structure determination of poneritoxin, omega-PONTX-Ae1a, from Anochetus emarginatus | ||||||
Components | poneritoxin | ||||||
Keywords | TOXIN / Ants / Anochetus / Neurotoxin / Disulfide bond / Venom | ||||||
Function / homology | toxin activity / extracellular region / U1-poneritoxin-Ae1a Function and homology information | ||||||
Biological species | Anochetus emarginatus (insect) | ||||||
Method | SOLUTION NMR / torsion angle dynamics | ||||||
Model details | lowest energy, model1 | ||||||
Authors | Chin, Y.K.-Y. / Touchard, A. / King, G.F. | ||||||
Citation | Journal: Biochim.Biophys.Acta / Year: 2016 Title: Isolation and characterization of a structurally unique beta-hairpin venom peptide from the predatory ant Anochetus emarginatus. Authors: Touchard, A. / Brust, A. / Cardoso, F.C. / Chin, Y.K. / Herzig, V. / Jin, A.H. / Dejean, A. / Alewood, P.F. / King, G.F. / Orivel, J. / Escoubas, P. | ||||||
History |
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Remark 650 | HELIX DETERMINATION METHOD: AUTHOR PROVIDED. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2nbc.cif.gz | 81.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2nbc.ent.gz | 60.7 KB | Display | PDB format |
PDBx/mmJSON format | 2nbc.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/nb/2nbc ftp://data.pdbj.org/pub/pdb/validation_reports/nb/2nbc | HTTPS FTP |
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-Related structure data
Similar structure data | |
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Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 1742.087 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Anochetus emarginatus (insect) / References: UniProt: C0HJY4*PLUS |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details |
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Sample |
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Sample conditions | Ionic strength: 20 / pH: 6 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker Avance / Manufacturer: Bruker / Model: Avance / Field strength: 600 MHz |
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-Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 1 | ||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: Best stereochemical property judged by Molprobity Conformers calculated total number: 30 / Conformers submitted total number: 20 |