BMRB Entry 30752

Name: NMR soltution structure of homotarsinin homodimer - Htr
Published: 2021-05-03

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PDB ID: 6wux
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30752
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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 soltution structure of homotarsinin homodimer - Htr

Deposition date:

2020-05-05

Original release date:

2021-05-03

Authors:

Verly, R.

Citation:

Citation: Verly, R.; Resende, J.; Junior, E.; de Magalhaes, M.; Guimaraes, C.; Munhoz, V.; Bemquerer, M.; Almeida, F.; Santoro, M.; Pilo-Veloso, D.; Bechinger, B.. "Structure and membrane interactions of the homodimeric antibiotic peptide homotarsinin." Sci. Rep. 7, 40854-40854 (2017).
PubMed: 28102305

Assembly members:

Assembly members:
entity_1, polymer, 25 residues, 2759.427 Da.

Natural source:

Natural source: Common Name: Brownbelly leaf frog Taxonomy ID: 306084 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Phyllomedusa tarsius

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: NLVSDIIGSKKHMEKLISII KKCRX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	64
15N chemical shifts	25
1H chemical shifts	162

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1
2	unit_2	1

Entities:

Entity 1, unit_1 25 residues - 2759.427 Da.

1

ASN

LEU

VAL

SER

ASP

ILE

GLY

SER

LYS

2

LYS

HIS

MET

GLU

LYS

LEU

ILE

SER

ILE

3

LYS

CYS

ARG

NH2

Samples:

sample_1: Homotarsinin - Htr 1 mM

sample_conditions_1: ionic strength: 0 Not defined; pH: 7.0 pH*; 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 NH2 only	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

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 800 MHz

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