BMRB Entry 51619

Name: RR14
Published: 2022-09-15

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51619

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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:

RR14

Deposition date:

2022-09-07

Original release date:

2022-09-15

Authors:

Tseng, Tien-Sheng; Lin, Tzu-Lu; Fang, Pei-Ju

Citation:

Citation: Kao, Chih-Chuan; Lin, Tzu-Lu; Lin, Chi-Jan; Tseng, Tien-Sheng. "Deciphering Structure-Function Relationship Unveils Salt-Resistant Mode of Action of a Potent MRSA-Inhibiting Antimicrobial Peptide, RR14" J. Bacteriol. 204, e0031222-e0031222 (2022).
PubMed: 36377870

Assembly members:

Assembly members:
entity_1, polymer, 14 residues, 1866.34 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: WLRRIKAWLRRIKA

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	13
15N chemical shifts	12
1H chemical shifts	107

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RR14	1

Entities:

Entity 1, RR14 14 residues - 1866.34 Da.

1

TRP

LEU

ARG

ILE

LYS

ALA

TRP

LEU

ARG

2

ARG

ILE

LYS

ALA

Samples:

sample_1: RR14 2.4 mM; sodium phosphate 20 mM; sodium chloride 100 mM; D2O, [U-100% 2H], 10%; DPC, [U-99% 2H], 197 mM

sample_conditions_1: pH: 4.983; pressure: 1 atm; temperature: 318 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v4.1.3 - collection, data analysis, peak picking, processing

CARA - chemical shift assignment, data analysis

PONDEROSA - chemical shift calculation, structure solution

SPARKY - peak picking

NMR spectrometers:

Bruker Avance 800 MHz

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