+Open data
-Basic information
Entry | Database: PDB / ID: 6otb | ||||||
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Title | NMR structure of alpha conotoxin SII | ||||||
Components | Alpha-conotoxin S2 | ||||||
Keywords | TOXIN | ||||||
Function / homology | Function and homology information host cell postsynaptic membrane / acetylcholine receptor inhibitor activity / ion channel regulator activity / toxin activity / extracellular region Similarity search - Function | ||||||
Biological species | Conus striatus (striated cone) | ||||||
Method | SOLUTION NMR / torsion angle dynamics | ||||||
Authors | Chin, Y.K.-Y. / Wilhelm, P. / Alewood, P.F. | ||||||
Citation | Journal: To Be Published Title: Structural and Pharmacological Characterization of alpha-Conotoxin SII: The sole member of framework II Authors: Wilhelm, P. / Chin, Y.K.-Y. / Luna-Ramirez, K. / Tae, H.-S. / King, G.F. / Adams, D.J. / Alewood, P.F. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6otb.cif.gz | 72.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6otb.ent.gz | 48.6 KB | Display | PDB format |
PDBx/mmJSON format | 6otb.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6otb_validation.pdf.gz | 387.4 KB | Display | wwPDB validaton report |
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Full document | 6otb_full_validation.pdf.gz | 452.8 KB | Display | |
Data in XML | 6otb_validation.xml.gz | 7.5 KB | Display | |
Data in CIF | 6otb_validation.cif.gz | 11.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ot/6otb ftp://data.pdbj.org/pub/pdb/validation_reports/ot/6otb | 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: 1797.026 Da / Num. of mol.: 1 / Fragment: residues 51-69 / Source method: obtained synthetically / Source: (synth.) Conus striatus (striated cone) / References: UniProt: P28879 |
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Has protein modification | Y |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Type: solution Contents: 20 mM sodium phosphate, 2.1 mM Alpha conotoxin SII, 95% H2O/5% D2O Label: SII / Solvent system: 95% H2O/5% D2O | ||||||||||||
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Sample |
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Sample conditions | Ionic strength: 20 mM / Label: SII / pH: 6 / Pressure: 1 atm / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE III / Manufacturer: Bruker / Model: AVANCE III / Field strength: 600 MHz |
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-Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 2 Details: The authors state that they initially calculated and kept 30 structures according to the structures' target function. Then they selected 20 out of the 30 according to the MolProbity score (i. ...Details: The authors state that they initially calculated and kept 30 structures according to the structures' target function. Then they selected 20 out of the 30 according to the MolProbity score (i.e. stereochemical properties). | ||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: target function / Conformers calculated total number: 30 / Conformers submitted total number: 20 |