+Open data
-Basic information
Entry | Database: PDB / ID: 2evq | ||||||
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Title | Solution structure of HP7, a 12-residue beta hairpin | ||||||
Components | HP7 | ||||||
Keywords | DE NOVO PROTEIN / Beta hairpin / Trp/Trp packing | ||||||
Method | SOLUTION NMR / Simulated Annealing from Random Structures, Steepest Descent Minimization | ||||||
Authors | Andersen, N.H. / Olsen, K.A. / Fesinmeyer, R.M. | ||||||
Citation | Journal: J.Am.Chem.Soc. / Year: 2006 Title: Minimization and Optimization of Designed beta-Hairpin Folds Authors: Andersen, N.H. / Olsen, K.A. / Fesinmeyer, R.M. / Tan, X. / Hudson, F.M. / Eidenschink, L.A. / Farazi, S.R. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2evq.cif.gz | 142.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2evq.ent.gz | 94.9 KB | Display | PDB format |
PDBx/mmJSON format | 2evq.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ev/2evq ftp://data.pdbj.org/pub/pdb/validation_reports/ev/2evq | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 1420.567 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: Synthesized using automated Fmoc chemistry (ABI 433A). |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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NMR experiment | Type: 2D NOESY |
-Sample preparation
Details | Contents: ~1.5 mM HP7, 20mM sodium phosphate buffer pH 6.0, DSS reference Solvent system: 90% H2O/10% D2O |
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Sample conditions | Ionic strength: 20 mM sodium phosphate / pH: 6.0 / Pressure: ambient / Temperature: 280 K |
-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M |
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Radiation wavelength | Relative weight: 1 |
NMR spectrometer | Type: Bruker DMX / Manufacturer: Bruker / Model: DMX / Field strength: 750 MHz |
-Processing
NMR software |
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Refinement | Method: Simulated Annealing from Random Structures, Steepest Descent Minimization Software ordinal: 1 | ||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with acceptable covalent geometry,structures with the least restraint violations Conformers calculated total number: 50 / Conformers submitted total number: 43 |