[English] 日本語
Yorodumi- PDB-1j4m: Minimized average structure of the 14-residue peptide RG-KWTY-NG-... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1j4m | ||||||
---|---|---|---|---|---|---|---|
Title | Minimized average structure of the 14-residue peptide RG-KWTY-NG-ITYE-GR (MBH12) | ||||||
Components | MBH12 | ||||||
Keywords | DE NOVO PROTEIN / beta-hairpin | ||||||
Method | SOLUTION NMR / simulated annealing, torsion angle dynamics (DYANA) | ||||||
Authors | Pastor, M.T. / Lopez de la Paz, M. / Lacroix, E. / Serrano, L. / Perez-Paya, E. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2002 Title: Combinatorial approaches: a new tool to search for highly structured beta-hairpin peptides. Authors: Pastor, M.T. / Lopez de la Paz, M. / Lacroix, E. / Serrano, L. / Perez-Paya, E. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 1j4m.cif.gz | 13.3 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb1j4m.ent.gz | 7.6 KB | Display | PDB format |
PDBx/mmJSON format | 1j4m.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1j4m_validation.pdf.gz | 241.7 KB | Display | wwPDB validaton report |
---|---|---|---|---|
Full document | 1j4m_full_validation.pdf.gz | 241.5 KB | Display | |
Data in XML | 1j4m_validation.xml.gz | 3.3 KB | Display | |
Data in CIF | 1j4m_validation.cif.gz | 3.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/j4/1j4m ftp://data.pdbj.org/pub/pdb/validation_reports/j4/1j4m | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
| |||||||||
---|---|---|---|---|---|---|---|---|---|---|
1 |
| |||||||||
NMR ensembles |
|
-Components
#1: Protein/peptide | Mass: 1703.877 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: The peptide was chemically synthesized using Fmoc chemistry. |
---|
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NMR experiment |
|
-Sample preparation
Details |
| ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sample conditions | Ionic strength: 0 / pH: 5 / Pressure: ambient / Temperature: 283 K |
-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M |
---|---|
Radiation wavelength | Relative weight: 1 |
NMR spectrometer | Type: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 500 MHz |
-Processing
NMR software |
| ||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method: simulated annealing, torsion angle dynamics (DYANA) / Software ordinal: 1 Details: Energy minimisation of the mean structure was done with the GROMOS96 implementation of Swiss-PdbViewer. | ||||||||||||||||||||
NMR ensemble | Conformers submitted total number: 1 |