+Open data
-Basic information
Entry | Database: PDB / ID: 5mou | ||||||
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Title | NMR spatial structure of scorpion alpha-like toxin BeM9 | ||||||
Components | Alpha-mammal toxin BeM9 | ||||||
Keywords | PROTEIN / PROTEIN NEUROTOXIN | ||||||
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 / torsion angle dynamics | ||||||
Authors | Mineev, K.S. / Kuldushev, N.A. / Berkut, A.A. / Grishin, E.V. / Vassilevski, A.A. / Arseniev, A.S. | ||||||
Citation | Journal: Proteins / Year: 2018 Title: Refined structure of BeM9 reveals arginine hand, an overlooked structural motif in scorpion toxins affecting sodium channels. Authors: Kuldyushev, N.A. / Mineev, K.S. / Berkut, A.A. / Peigneur, S. / Arseniev, A.S. / Tytgat, J. / Grishin, E.V. / Vassilevski, A.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5mou.cif.gz | 195.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5mou.ent.gz | 163.4 KB | Display | PDB format |
PDBx/mmJSON format | 5mou.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 5mou_validation.pdf.gz | 470.8 KB | Display | wwPDB validaton report |
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Full document | 5mou_full_validation.pdf.gz | 657.5 KB | Display | |
Data in XML | 5mou_validation.xml.gz | 45.1 KB | Display | |
Data in CIF | 5mou_validation.cif.gz | 38.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/mo/5mou ftp://data.pdbj.org/pub/pdb/validation_reports/mo/5mou | HTTPS FTP |
-Related structure data
Similar structure data | |
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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 | Mass: 7351.345 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mesobuthus eupeus (lesser Asian scorpion) Production host: Escherichia coli (E. coli) / References: UniProt: P09981 |
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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 mM [U-99% 15N] Alpha-mammal toxin BeM9, 90% H2O/10% D2O Label: sample_1 / Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 1 mM / Component: Alpha-mammal toxin BeM9 / Isotopic labeling: [U-99% 15N] |
Sample conditions | Ionic strength: 10 mM / Label: sc_1 / pH: 3.5 / Pressure: AMBIENT Pa / Temperature: 303 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 700 MHz |
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-Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 1 | ||||||||||||||||
NMR representative | Selection criteria: fewest violations | ||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the least restraint violations Conformers calculated total number: 100 / Conformers submitted total number: 10 |