BMRB Entry 30746

Name: NMR Structure of HSP-4 antimicrobial peptide in presence of DPC-d38 micelles
Published: 2021-03-12

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PDB ID: 6wpo
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30746
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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 HSP-4 antimicrobial peptide in presence of DPC-d38 micelles

Deposition date:

2020-04-27

Original release date:

2021-03-12

Authors:

Verly, R.; Nunes, L.

Citation:

Citation: Nunes, L.; Munhoz, V.; Sousa, A.; de Souza, K.; Santos, T.; Bemquerer, M.; Ferreira, D.; de Magalhaes, Mariana; Resende, J.; Alcantara, A.; Aisenbrey, C.; Veloso, D.; Bechinger, B.; Verly, R.. "High-resolution structural profile of hylaseptin-4: Aggregation, membrane topology and pH dependence of overall membrane binding process" Biochim. Biophys. Acta Biomembr. 1863, 183581-183581 (2021).
PubMed: 33556358

Assembly members:

Assembly members:
entity_1, polymer, 26 residues, 2419.843 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: GIGDILKNLAKAAGKAALHA VGESLX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
13C chemical shifts	39
15N chemical shifts	24
1H chemical shifts	73

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 26 residues - 2419.843 Da.

1

GLY

ILE

GLY

ASP

ILE

LEU

LYS

ASN

LEU

ALA

2

LYS

ALA

GLY

LYS

ALA

LEU

HIS

ALA

3

VAL

GLY

GLU

SER

LEU

NH2

Samples:

sample_1: HSP-4 5 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-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	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

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

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 AVANCE III 600 MHz