BMRB Entry 30744

Name: NMR Structure of HSP1-NH2 antimicrobial peptide in presence of SDS-d25 micelles
Published: 2020-08-31

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PDB ID: 6wpb
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR30744
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:

NMR Structure of HSP1-NH2 antimicrobial peptide in presence of SDS-d25 micelles

Deposition date:

2020-04-27

Original release date:

2020-08-31

Authors:

Verly, R.; Gomes, I.

Citation:

Citation: Gomes, I.; Santos, T.; Souza, A.; Nunes, L.; Cardoso, G.; Matos, C.; Costa, L.; Liao, L.; Resende, J.; Verly, R.. "Membrane interactions of the anuran antimicrobial peptide HSP1-NH 2: Different aspects of the association to anionic and zwitterionic biomimetic systems" Biochim. Biophys. Acta Biomembr. 1863, 183449-183449 (2020).
PubMed: 32828849

Assembly members:

Assembly members:
entity_1, polymer, 15 residues, 1311.594 Da.

Natural source:

Natural source: Common Name: polka-dot treefrog Taxonomy ID: 2499473 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Boana punctata

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GILDAIKAIAKAAGX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
13C chemical shifts	40
15N chemical shifts	14
1H chemical shifts	80

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 15 residues - 1311.594 Da.

1

GLY

ILE

LEU

ASP

ALA

ILE

LYS

ALA

ILE

ALA

2

LYS

ALA

GLY

NH2

Samples:

sample_1: HSP-1, unlable, 1 mM

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample_1	isotropic	sample_conditions_1
2D TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMRView, Johnson, One Moon Scientific - chemical shift assignment

PROCHECK / PROCHECK-NMR, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton - data analysis

QUEEN, Nabuurs, Spronk, Krieger, Maassen, Vriend and Vuister - data analysis

NMR spectrometers:

Bruker Bruker Avance III 500 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks