BMRB Entry 27060

Name: 1H assignments for DecP-11 in solution
Published: 2017-09-15

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27060

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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:

1H assignments for DecP-11 in solution

Deposition date:

2017-03-30

Original release date:

2017-09-15

Authors:

Fadel, Valmir; Cabrera, Marcia

Citation:

Citation: Martins, Danubia Batista; Vieira, Maira Ramos; Fadel, Valmir; Santana, Viviane Aparecida Camargo; Guerra, Mirian Elisa Rodrigues; Lima, Marta Lopes; Tempone, Andre; Dos Santos Cabrera, Marcia Perez. "Membrane targeting peptides toward antileishmanial activity: Design, structural determination and mechanism of interaction" Biochim. Biophys. Acta ., 30248-30249 (2017).
PubMed: 28780126

Assembly members:

Assembly members:
DecP-11, polymer, 15 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):
DecP-11: SWLSLIRKLINSLLX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
1H chemical shifts	122

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Decp-11, chain 1	1
2	Decp-11, chain 2	1

Entities:

Entity 1, Decp-11, chain 1 15 residues - Formula weight is not available

1

SER

TRP

LEU

SER

LEU

ILE

ARG

LYS

LEU

ILE

2

ASN

SER

LEU

NH2

Samples:

sample_1: DecP-11 2.1 mM; D2O 5%; TFE, [U-99% 2H], 30%; DSS 0 mM

sample_conditions_1: pH: 5.1; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

CARA v1,9,1,7, Keller - chemical shift assignment

CNS v1,3, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

UNIO_10 v2.0.2, Herrmann, T - structure solution

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

NMR spectrometers:

Varian Unity 600 MHz