BMRB Entry 19973

Name: Solution structure of an potent antifungal peptide Cm-p5 derived from C. muricatus
Published: 2015-08-10

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PDB ID: 2mp9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19973
MolProbity Validation Chart

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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: Solution structure of an potent antifungal peptide Cm-p5 derived from C. muricatus PubMed: 25921828

Deposition date: 2014-05-14 Original release date: 2015-08-10

Authors: Sun, Zhenyu; Heffron, Gregory; McBeth, Christine; Wagner, Gerhard; Otero-Gonzales, Anselmo; Starnbach, Michael

Citation: Lopez-Abarrategui, Carlos; McBeth, Christine; Mandal, Santi; Sun, Zhenyu; Heffron, Gregory; Alba-Menendez, Annia; Migliolo, Ludovico; Reyes-Acosta, Osvaldo; Garcia-Villarino, Monica; Nolasco, Diego; Falcao, Rosana; Cherobim, Mariana; Campos-Dias, Simoni; Brandt, Wolfgang; Wessjohann, Ludger; Starnbach, Michael; Franco, Octavio; Otero-Gonzales, Anselmo. "Cm-p5: an antifungal hydrophilic peptide derived from the coastal mollusk Cenchritis muricatus (Gastropoda: Littorinidae)" FASEB J. 29, 3315-3325 (2015).

Assembly members:
Cm-p5, polymer, 13 residues, 1485.748 Da.

Natural source: Common Name: Cenchritis muricatus Taxonomy ID: 197001 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Cenchritis muricatus

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
Cm-p5: SRSELIVHQRLFX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	46
15N chemical shifts	11
1H chemical shifts	93

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Cm-p5	1

Entities:

Entity 1, Cm-p5 13 residues - 1485.748 Da.

The carboxy terminus is amidated as a result of peptide synthesis.

1

SER

ARG

SER

GLU

LEU

ILE

VAL

HIS

GLN

ARG

2

LEU

PHE

NH2

Samples:

sample_1: Cm-p5 4 mM; TFE 40%

sample_conditions_1: pressure: 1 atm; temperature: 298 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
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

Software:

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

CARA, Keller and Wuthrich - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

Agilent DD2 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts