|Entry||Database: PDB / ID: 2ki0|
|Title||NMR Structure of a de novo designed beta alpha beta|
|Keywords||DE NOVO PROTEIN / beta-alpha-beta|
|Method||SOLUTION NMR / molecular dynamics, simulated annealing|
|Authors||Liang, H. / Chen, H. / Fan, K. / Wei, P. / Guo, X. / Jin, C. / Zeng, C. / Tang, C. / Lai, L.|
|Citation||Journal: Angew.Chem.Int.Ed.Engl. / Year: 2009|
Title: De novo design of a beta alpha beta motif.
Authors: Liang, H. / Chen, H. / Fan, K. / Wei, P. / Guo, X. / Jin, C. / Zeng, C. / Tang, C. / Lai, L.
SummaryFull reportAbout validation report
|Date||Deposition: Apr 18, 2009 / Release: Oct 20, 2009|
|Structure viewer||Molecule: |
Downloads & links
|#1: Protein/peptide|| |
Mass: 4036.613 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: The peptide was prepared by Invitrogen plasmid pGEX-4T-1. The vector was transformed into E. coli.
|Experiment||Method: SOLUTION NMR|
Conditions-ID: 1 / Solution-ID: 1
|Details||Contents: 1 mM DS119-1, 40 mM sodium phosphate-2, 10 % D2O-3, 90%H2O, 10%D2O|
Solvent system: 90% H2O/10% D2O
|Sample conditions||pH: 6.0 / Pressure: 1 atm / Temperature: 298 K|
|NMR spectrometer||Type: Bruker Avance / Manufacturer: Bruker / Model: Avance / Field strength: 400 MHz|
|Refinement||Method: molecular dynamics, 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 / Representative conformer: 1
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