+Open data
-Basic information
Entry | Database: PDB / ID: 2m6d | ||||||
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Title | NMR solution structure of trans (major) form of In936 in water | ||||||
Components | Contryphan-In | ||||||
Keywords | TOXIN / trans In936 / water | ||||||
Function / homology | Contryphan, conserved site / Contryphan family signature. / ion channel regulator activity / toxin activity / extracellular region / Contryphan-In Function and homology information | ||||||
Biological species | Conus inscriptus (invertebrata) | ||||||
Method | SOLUTION NMR / torsion angle dynamics | ||||||
Model details | with the good disulfide sidechain dihedral angle constraint, model1 | ||||||
Authors | Sonti, R. | ||||||
Citation | Journal: Chemistry / Year: 2013 Title: Conformational diversity in contryphans from Conus venom: cis-trans isomerisation and aromatic/proline interactions in the 23-membered ring of a 7-residue peptide disulfide loop. Authors: Sonti, R. / Gowd, K.H. / Rao, K.N. / Ragothama, S. / Rodriguez, A. / Perez, J.J. / Balaram, P. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2m6d.cif.gz | 28.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2m6d.ent.gz | 21.2 KB | Display | PDB format |
PDBx/mmJSON format | 2m6d.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2m6d_validation.pdf.gz | 401.1 KB | Display | wwPDB validaton report |
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Full document | 2m6d_full_validation.pdf.gz | 415.9 KB | Display | |
Data in XML | 2m6d_validation.xml.gz | 4.5 KB | Display | |
Data in CIF | 2m6d_validation.cif.gz | 5.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/m6/2m6d ftp://data.pdbj.org/pub/pdb/validation_reports/m6/2m6d | HTTPS FTP |
-Related structure data
Related structure data | 2m6cC 2m6eC 2m6fC 2m6gC 2m6hC C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
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: 940.140 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Conus inscriptus (invertebrata) / References: UniProt: P0C249 |
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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: 3 mM TSP-1, 90% H2O/10% D2O / Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 3 mM / Component: TSP-1 |
Sample conditions | Temperature: 293 K |
-NMR measurement
NMR spectrometer | Type: Bruker Avance / Manufacturer: Bruker / Model: AVANCE / Field strength: 500 MHz |
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-Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 1 | ||||||||||||
NMR representative | Selection criteria: with the good disulfide sidechain dihedral angle constraint | ||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 10 / Representative conformer: 1 |