+Open data
-Basic information
Entry | Database: PDB / ID: 2n7o | ||||||
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Title | NMR Structure of Peptide PG-990 in DPC micelles | ||||||
Components | Peptide PG-990 | ||||||
Keywords | DE NOVO PROTEIN | ||||||
Biological species | synthetic construct (others) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Model details | lowest energy, model50 | ||||||
Authors | Carotenuto, A. / Merlino, F. / Chai, M. / Brancaccio, D. / Yousif, A. / Novellino, E. / Hruby, V. / Grieco, P. | ||||||
Citation | Journal: J.Med.Chem. / Year: 2015 Title: Discovery of Novel Potent and Selective Agonists at the Melanocortin-3 Receptor. Authors: Carotenuto, A. / Merlino, F. / Cai, M. / Brancaccio, D. / Yousif, A.M. / Novellino, E. / Hruby, V.J. / Grieco, P. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2n7o.cif.gz | 31.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2n7o.ent.gz | 24.5 KB | Display | PDB format |
PDBx/mmJSON format | 2n7o.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2n7o_validation.pdf.gz | 361.6 KB | Display | wwPDB validaton report |
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Full document | 2n7o_full_validation.pdf.gz | 369.6 KB | Display | |
Data in XML | 2n7o_validation.xml.gz | 4.3 KB | Display | |
Data in CIF | 2n7o_validation.cif.gz | 5.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/n7/2n7o ftp://data.pdbj.org/pub/pdb/validation_reports/n7/2n7o | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 1134.352 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Contents: 2 mM PG, 200 mM [U-2H] DPC, 90% H2O/10% D2O / Solvent system: 90% H2O/10% D2O | ||||||||||||
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Sample |
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Sample conditions | Ionic strength: 10 / pH: 5.5 / Pressure: ambient / Temperature: 298.0 K |
-NMR measurement
NMR spectrometer | Type: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 700 MHz |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | ||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||
NMR ensemble | Conformer selection criteria: back calculated data agree with experimental NOESY spectrum Conformers calculated total number: 100 / Conformers submitted total number: 10 |