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Yorodumi- PDB-2lkb: Evolutionary diversification of Mesobuthus alpha-scorpion toxins ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2lkb | ||||||
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Title | Evolutionary diversification of Mesobuthus alpha-scorpion toxins affecting sodium channels | ||||||
Components | Neurotoxin MeuNaTx-5 | ||||||
Keywords | TOXIN / Mesobuthus alpha-Scorpion | ||||||
Function / homology | Function and homology information sodium channel inhibitor activity / : / defense response / toxin activity / extracellular region Similarity search - Function | ||||||
Biological species | Mesobuthus eupeus (lesser Asian scorpion) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Model details | minimized average structure, model 1 | ||||||
Model type details | minimized average | ||||||
Authors | Zhu, S. / Peigneur, S. / Gao, B. / Lu, X. / Cao, C. / Tytgat, J. | ||||||
Citation | Journal: Mol.Cell Proteomics / Year: 2011 Title: Evolutionary diversification of Mesobuthus {alpha}-scorpion toxins affecting sodium channels Authors: Zhu, S. / Peigneur, S. / Gao, B. / Lu, X. / Cao, C. / Tytgat, J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2lkb.cif.gz | 374.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2lkb.ent.gz | 315.2 KB | Display | PDB format |
PDBx/mmJSON format | 2lkb.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/lk/2lkb ftp://data.pdbj.org/pub/pdb/validation_reports/lk/2lkb | 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 | Mass: 7187.229 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Mesobuthus eupeus (lesser Asian scorpion) / References: UniProt: P86405 |
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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: 50 mM sodium phosphate-1, 90% H2O/10% D2O / Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 50 mM / Component: sodium phosphate-1 |
Sample conditions | Ionic strength: 0.05 / pH: 4.0 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 600 MHz |
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-Processing
NMR software | Name: X-PLOR NIH / Developer: Brunger / Classification: refinement |
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Refinement | Method: simulated annealing / Software ordinal: 1 |
NMR constraints | NOE constraints total: 710 / NOE intraresidue total count: 216 / NOE long range total count: 117 / NOE medium range total count: 122 / NOE sequential total count: 255 |
NMR representative | Selection criteria: minimized average structure |
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 / Representative conformer: 1 |