+
Open data
-
Basic information
Entry | Database: PDB / ID: 1yva | ||||||
---|---|---|---|---|---|---|---|
Title | NMR solution structure of crambin in DPC micelles | ||||||
![]() | Crambin | ||||||
![]() | PLANT PROTEIN / crambin / DPC / micelles | ||||||
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. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 249.6 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 216.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 339.7 KB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 485.6 KB | Display | |
Data in XML | ![]() | 24.4 KB | Display | |
Data in CIF | ![]() | 37.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1yv8C ![]() 2eyaC ![]() 2eybC ![]() 2eycC ![]() 2eydC C: citing same article ( |
---|---|
Similar structure data | |
Other databases |
-
Links
-
Assembly
Deposited unit | ![]()
| |||||||||
---|---|---|---|---|---|---|---|---|---|---|
1 |
| |||||||||
NMR ensembles |
|
-
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_crambin / Production host: ![]() ![]() |
---|
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NMR experiment |
|
-
Sample preparation
Details | Contents: 0.5 mM crambin U-15N,13C, pH 6.0, 20 mM phosphate buffer, 300mM DPC, 90% H2O, 10% D2O Solvent system: 300 mM DPC, 20 mM phosphate buffer, 90% H2O, 10% D2O |
---|---|
Sample conditions | Ionic strength: 0 / pH: 6.0 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M | ||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Radiation wavelength | Relative weight: 1 | ||||||||||||||||||||
NMR spectrometer |
|
-
Processing
NMR software |
| ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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 |