+Open data
-Basic information
Entry | Database: PDB / ID: 1yv8 | ||||||
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Title | Solution structure of crambin in acetone/water mixed solvent | ||||||
Components | Crambin | ||||||
Keywords | PLANT PROTEIN / crambin / mixed organic/aqueous solvent | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Crambe hispanica (plant) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Authors | Ahn, H.-C. / Markley, J.L. | ||||||
Citation | Journal: J.Am.Chem.Soc. / Year: 2006 Title: Three-Dimensional Structure of the Water-Insoluble Protein Crambin in Dodecylphosphocholine Micelles and Its Minimal Solvent-Exposed Surface Authors: Ahn, H.-C. / Juranic, N. / Macura, S. / Markley, J.L. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1yv8.cif.gz | 249.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1yv8.ent.gz | 216.2 KB | Display | PDB format |
PDBx/mmJSON format | 1yv8.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/yv/1yv8 ftp://data.pdbj.org/pub/pdb/validation_reports/yv/1yv8 | HTTPS FTP |
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-Related structure data
Related structure data | 1yvaC 2eyaC 2eybC 2eycC 2eydC C: citing same article (ref.) |
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Similar structure data | |
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: 4738.447 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Crambe hispanica (plant) / Strain: subsp. abyssinica / Gene: THI2 / Plasmid: pET3a/SN_crambin / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)pLysS / References: UniProt: P01542 |
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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: 1mM crambin U-15N,13C, 75% acetone, 15% H2O, 10% D2O Solvent system: 75% acetone, 15% H2O, 10% D2O |
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Sample conditions | Ionic strength: 0 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
NMR spectrometer | Type: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 600 MHz |
-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | ||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |