BMRB Entry 26798
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26798
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Title: NMR Assignment of L-Dfp11,L-Msa7,D-Trp8-SRIF PubMed: 27271737
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: 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).
Assembly members:
L-Dfp11,L-Msa7,D-Trp8-SRIF, polymer, 14 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
L-Dfp11,L-Msa7,D-Trp8-SRIF: AGCKNFXXKTXTSC
- assigned_chemical_shifts
Data type | Count |
1H chemical shifts | 82 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | L-Dfp11,L-Msa7,D-Trp8-SRIF | 1 |
Entities:
Entity 1, L-Dfp11,L-Msa7,D-Trp8-SRIF 14 residues - Formula weight is not available
1 | ALA | GLY | CYS | LYS | ASN | PHE | X | DTR | LYS | THR | ||||
2 | WFP | THR | SER | CYS |
Samples:
sample_1: L-Dfp11,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:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_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