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Yorodumi- PDB-6nw8: SOLUTION STRUCTURE OF CN29, A TOXIN FROM CENTRUROIDES NOXIUS SCOR... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6nw8 | ||||||
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Title | SOLUTION STRUCTURE OF CN29, A TOXIN FROM CENTRUROIDES NOXIUS SCORPION VENOM | ||||||
Components | Cn29 | ||||||
Keywords | TOXIN / scorpion toxin | ||||||
Function / homology | modulation of process of another organism / extracellular region / Peptide Cn29 Function and homology information | ||||||
Biological species | Centruroides noxius (Mexican scorpion) | ||||||
Method | SOLUTION NMR / torsion angle dynamics | ||||||
Authors | Delepierre, M. / Gurrola, G.B. / Possani, L.D. / Guijarro, J.I. | ||||||
Citation | Journal: Toxicon / Year: 2019 Title: Cn29, a novel orphan peptide found in the venom of the scorpion Centruroides noxius: Structure and function. Authors: Gurrola, G.B. / Guijarro, J.I. / Delepierre, M. / Mendoza, R.L.L. / Cid-Uribe, J.I. / Coronas, F.V. / Possani, L.D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6nw8.cif.gz | 66.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6nw8.ent.gz | 48.1 KB | Display | PDB format |
PDBx/mmJSON format | 6nw8.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6nw8_validation.pdf.gz | 421.4 KB | Display | wwPDB validaton report |
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Full document | 6nw8_full_validation.pdf.gz | 510.2 KB | Display | |
Data in XML | 6nw8_validation.xml.gz | 17.3 KB | Display | |
Data in CIF | 6nw8_validation.cif.gz | 17 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/nw/6nw8 ftp://data.pdbj.org/pub/pdb/validation_reports/nw/6nw8 | 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/peptide | Mass: 2831.280 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: venom / Source: (synth.) Centruroides noxius (Mexican scorpion) / References: UniProt: A0A5H1ZR48*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 | Type: solution / Contents: 0.19 mM None Cn29, 90% H2O/10% D2O / Label: 1 / Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 0.19 mM / Component: Cn29 / Isotopic labeling: None |
Sample conditions | Ionic strength: 0 M / Label: 1 / pH: 4 / PH err: 1 / Pressure: 1 atm / Temperature: 298.15 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE NEO / Manufacturer: Bruker / Model: AVANCE NEO / Field strength: 800 MHz / Details: cryogenic probe |
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-Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 6 Details: The structures are based on a total of 458 distance constraints, 455 are NOE derived constraint (326 unambiguous and 129 ambiguous) and 3 hydrogen bond | ||||||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 200 / Conformers submitted total number: 10 |