+Open data
-Basic information
Entry | Database: PDB / ID: 2ifj | ||||||
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Title | Lys6 deamidated variant of ImI conotoxin | ||||||
Components | Alpha-conotoxin ImI | ||||||
Keywords | TOXIN / Conotoxin / disulfide linkages / ribbon conformation | ||||||
Method | SOLUTION NMR / Energy minimization, Molecular Dynamics, Simulated annealing | ||||||
Model type details | minimized average | ||||||
Authors | Kini, R.M. / Kang, T.S. | ||||||
Citation | Journal: Biochemistry / Year: 2007 Title: Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins Authors: Kang, T.S. / Talley, T.T. / Jois, S.D. / Taylor, P. / Kini, R.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2ifj.cif.gz | 50.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2ifj.ent.gz | 40.2 KB | Display | PDB format |
PDBx/mmJSON format | 2ifj.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2ifj_validation.pdf.gz | 356.1 KB | Display | wwPDB validaton report |
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Full document | 2ifj_full_validation.pdf.gz | 443.8 KB | Display | |
Data in XML | 2ifj_validation.xml.gz | 5.7 KB | Display | |
Data in CIF | 2ifj_validation.cif.gz | 8.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/if/2ifj ftp://data.pdbj.org/pub/pdb/validation_reports/if/2ifj | HTTPS FTP |
-Related structure data
Related structure data | 2ifiC 2ifzC 2iguC 2ih6C 2ih7C 2ihaC C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 1390.659 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: Chemically synthesized using Fmoc solid phase peptide synthesis. |
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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: 2mM peptide sample; 10% D2O, 90% H2O / Solvent system: 10% D2O, 90% H2O |
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Sample conditions | Ionic strength: 2mM / pH: 3 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 500 MHz |
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-Processing
NMR software |
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Refinement | Method: Energy minimization, Molecular Dynamics, Simulated annealing Software ordinal: 1 | |||||||||||||||
NMR representative | Selection criteria: minimized average structure | |||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 200 / Conformers submitted total number: 16 |