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- PDB-1cxr: AUTOMATED 2D NOESY ASSIGNMENT AND STRUCTURE CALCULATION OF CRAMBI... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1cxr | ||||||
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Title | AUTOMATED 2D NOESY ASSIGNMENT AND STRUCTURE CALCULATION OF CRAMBIN(S22/I25) WITH SELF-CORRECTING DISTANCE GEOMETRY BASED NOAH/DIAMOD PROGRAMS | ||||||
![]() | CRAMBIN | ||||||
![]() | PLANT PROTEIN / CRAMBIN / CRAMBE ABYSSINICA / PLANT SEED PROTEIN FEB. 20 / 1997 | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / SELF-CORRECTING DISTANCE GEOMETRY | ||||||
![]() | Xu, Y. / Wu, J. / Gorenstein, D. / Braun, W. | ||||||
![]() | ![]() Title: Automated 2D NOESY assignment and structure calculation of Crambin(S22/I25) with the self-correcting distance geometry based NOAH/DIAMOD programs. Authors: Xu, Y. / Wu, J. / Gorenstein, D. / Braun, W. #1: ![]() Title: Automated Assignment of Simulated, Experimental Noesy Spectra of Proteins by Feedback Filtering and Self-Correcting Distance Geometry Authors: Mumenthaler, C. / Braun, W. #2: ![]() Title: Automated Combined Assignment of Noesy Spectra and Three-Dimensional Protein Structure Determination Authors: Mumenthaler, C. / Guntert, P. / Braun, W. / Wuthrich, K. #3: ![]() Title: Combined Automated Assignment of NMR Spectra and Calculation of Three- Dimensional Protein Structures Authors: Xu, Y. / Schein, C.H. / Braun, W. #4: ![]() Title: A Program, Fantom, for Energy Refinement of Polypeptides and Proteins Using a Newton-Raphson Minimizer in the Torsion Angle Space Authors: Schaumann, T.H. / Braun, W. / Wuthrich, K. #5: ![]() Title: Exact and Efficient Analytical Calculation of the Accessible Surface Areas and Their Gradients Macromolecules Authors: Fraczkiewicz, R. / Braun, W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 128.3 KB | Display | ![]() |
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PDB format | ![]() | 110.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 333.8 KB | Display | ![]() |
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Full document | ![]() | 388.1 KB | Display | |
Data in XML | ![]() | 8 KB | Display | |
Data in CIF | ![]() | 12.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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NMR ensembles |
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Components
#1: Protein/peptide | Mass: 4728.410 Da / Num. of mol.: 1 / Fragment: ISOFORM OF CRAMBIN (46 RESIDUES) / Mutation: S22P, I25L / Source method: isolated from a natural source Source: (natural) ![]() Organ: SEED / Species: Crambe hispanica / Strain: subsp. abyssinica / References: UniProt: P01542 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||
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NMR experiment |
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NMR details | Text: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D HOMONUCLEAR TECHNIQUES. |
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Sample preparation
Details | Contents: 2.5 MM CRAMBIN(SER/ILE) 0.7 ML OF 75% D6-ACETONE, 20%H2O,5%D2O BUFFER |
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Sample conditions | pH: 6.5 / Pressure: 1 atm / Temperature: 298 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Varian VXRS / Manufacturer: Varian / Model: VXRS / Field strength: 600 MHz |
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Processing
NMR software |
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Refinement | Method: SELF-CORRECTING DISTANCE GEOMETRY / Software ordinal: 1 / Details: SEE REFERENCE: J. MAGN. RESON. 136, P76-85(1999) | ||||||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||||||
NMR ensemble | Conformer selection criteria: STRUCTURES WITH THE LEAST RESTRAINT VIOLATIONS,STRUCTURES WITH THE LOWEST ENERGY,TARGET FUNCTION Conformers calculated total number: 40 / Conformers submitted total number: 10 |