BMRB Entry 25537

Name: Backbone 1H, Chemical Shift Assignments for Cn-APM1
Published: 2015-06-15

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PDB ID: 2n0v
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25537
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Backbone 1H, Chemical Shift Assignments for Cn-APM1 PubMed: 25639464

Deposition date: 2015-06-15 Original release date: 2015-06-15

Authors: Santana, Mabio; Oliveira, Aline; Queiroz, Luiz; Mandal, Santi; Matos, Carolina; Dias, Renata; Franco, Octavio; Liao, Luciano

Citation: Santana, Mabio; Oliveira, Aline; Queiroz, Luiz; Mandal, Santi; Matos, Carolina; Dias, Renata; Franco, Octavio; Liao, Luciano. "Structural insights into Cn-AMP1, a short disulfide-free multifunctional peptide from green coconut water" FEBS Lett. 589, 639-644 (2015).

Assembly members:
Peptide, polymer, 10 residues, 877.004 Da.

Natural source: Common Name: coconut palm Taxonomy ID: 13894 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Cocos Nucifera

Experimental source: Production method: obtained from a vendor Host organism: Cocos Nucifera Water

Entity Sequences (FASTA):
Peptide: SVAGRAQGMX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list
- spectral_peak_list_1
- spectral_peak_list_2

Data type	Count
1H chemical shifts	39

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Cn-AMP1	1

Entities:

Entity 1, Cn-AMP1 10 residues - 877.004 Da.

1

SER

VAL

ALA

GLY

ARG

ALA

GLN

GLY

MET

NH2

Samples:

sample-Cn-AMP1: Peptide 1.0 ± 0.05 mM

sample_condition-Cn-AMP1: pH: 3.97; pressure: 1 atm; temperature: 298.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample-Cn-AMP1	isotropic	sample_condition-Cn-AMP1
2D 1H-1H TOCSY	sample-Cn-AMP1	isotropic	sample_condition-Cn-AMP1

Software:

X-PLOR_NIH v2.38, Schwieters, Kuszewski, Tjandra and Clore - chemical shift assignment, data analysis

NMR spectrometers:

Bruker Avance III 500 MHz