BMRB Entry 26798

Name: NMR Assignment of L-Dfp11,L-Msa7,D-Trp8-SRIF
Published: 2016-08-31

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26798

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR Assignment of L-Dfp11,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-Dfp11,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-Dfp11,L-Msa7,D-Trp8-SRIF: AGCKNFXXKTXTSC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	82

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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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