BMRB Entry 26797

Title:
NMR Assignment of L-Dfp6,L-Msa7,D-Trp8-SRIF
Deposition date:
2016-05-12
Original release date:
2016-08-31
Authors:
Macias, Maria; Riera, Antoni; Martin-Gago, Pablo; Rol, Alvaro; Martin-Malpartida, Pau
Citation:

Citation: Martin-Gago, Pablo; Rol, Alvaro; Todorovski, Toni; Aragon, Eric; Martin-Malpartida, Pau; Verdaguer, Xavier; Valles-Miret, Mariona; Fernandez-Carneado, Jimena; Ponsati, Berta; Macias, Maria; Riera, Antoni. "Peptide aromatic interactions modulated by fluorinated residues: Synthesis, structure and biological activity of Somatostatin analogs containing 3-(3',5'difluorophenyl)-alanine"  Sci. Rep. 6, 27285-27285 (2016).
PubMed: 27271737

Assembly members:

Assembly members:
L-Dfp6,L-Msa7,D-Trp8-SRIF, polymer, 14 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
L-Dfp6,L-Msa7,D-Trp8-SRIF: AGCKNXXXKTFTSC

Data sets:
Data typeCount
1H chemical shifts91

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1L-Dfp6,L-Msa7,D-Trp8-SRIF1

Entities:

Entity 1, L-Dfp6,L-Msa7,D-Trp8-SRIF 14 residues - Formula weight is not available

1   ALAGLYCYSLYSASNWFPXDTRLYSTHR
2   PHETHRSERCYS

Samples:

sample_1: L-Dfp6,L-Msa7,D-Trp8-SRIF 1 mM; D2O, [U-100% 2H], 10%; H2O 90%; sodium phosphate 100 mM; sodium chloride 50 mM

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 285 K

Experiments:

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

Software:

CNSSOLVE, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

TOPSPIN, Bruker Biospin - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz