BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 25820

Title: NMR structure of Peptide PG-992 in DPC micelles   PubMed: 26599352

Deposition date: 2015-12-14 Original release date: 2015-12-14

Authors: Carotenuto, Alfonso; Merlino, Francesco; Chai, Minying; Brancaccio, Diego; Yousif, Ali Munaim; Novellino, Ettore; Hruby, Victor J; Grieco, Paolo

Citation: Carotenuto, Alfonso; Merlino, Francesco; Chai, Minying; Brancaccio, Diego; Yousif, Ali Munaim; Novellino, Ettore; Hruby, Victor J; Grieco, Paolo. "Discovery of Novel Potent and Selective Agonists at the Melanocortin3 Receptor"  J. Med. Chem. 58, 9773-9778 (2015).

Assembly members:
PG-992, polymer, 10 residues, 1322.594 Da.

Natural source:   Common Name: enterobacteria   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
PG-992: XXDWPXRWKX

Data sets:
Data typeCount
1H chemical shifts80

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1PG-9921

Entities:

Entity 1, PG-992 10 residues - 1322.594 Da.

1   ACENLEASPTRPPRO4J2ARGTRPLYSNH2

Samples:

sample_1: PG-992 2 mM; DPC, [U-2H], 200 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 10 mM; pH: 5.5; pressure: 1 atm; temperature: 298.0 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

XEASY, Bartels et al. - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Varian INOVA 700 MHz