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Open data
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Basic information
Entry | Database: PDB / ID: 2eya | ||||||
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Title | DMSO refined solution structure of crambin in acetone/water | ||||||
![]() | Crambin | ||||||
![]() | PLANT PROTEIN / CRAMBIN / MIXED ORGANIC/AQUEOUS SOLVENT | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
![]() | Ahn, H.C. / Markley, J.L. | ||||||
![]() | ![]() 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. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 249.7 KB | Display | ![]() |
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PDB format | ![]() | 216.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 331 KB | Display | ![]() |
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Full document | ![]() | 433.2 KB | Display | |
Data in XML | ![]() | 13.7 KB | Display | |
Data in CIF | ![]() | 23.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1yv8C ![]() 1yvaC ![]() 2eybC ![]() 2eycC ![]() 2eydC C: citing same article ( |
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Similar structure data | |
Other databases |
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Links
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Assembly
Deposited unit | ![]()
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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.) ![]() Species: Crambe hispanica / Strain: subsp. abyssinica / Gene: THI2 / Plasmid: PET3A-SN / Production host: ![]() ![]() |
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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 | Pressure: AMBIENT / Temperature: 298 K |
-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M |
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Radiation wavelength | Relative weight: 1 |
NMR spectrometer | Type: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 600 MHz |
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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: DMSO REFINED STRUCTURES / Conformers calculated total number: 20 / Conformers submitted total number: 20 |