BMRB Entry 34284

Name: NMR structure of aurein 2.5 in SDS micelles
Published: 2018-07-13

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PDB ID: 6gs9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34284
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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 aurein 2.5 in SDS micelles

Deposition date:

2018-06-13

Original release date:

2018-07-13

Authors:

Manzo, G.; Mason, J.

Citation:

Citation: Manzo, Giorgia; Ferguson, Philip; Hind, Charlotte; Clifford, Melanie; Gustilo, V Benjamin; Ali, Hind; Bansal, Sukhvinder; Bui, Tam; Drake, Alex; Atkinson, R Andrew; Sutton, J Mark; Lorenz, Christian; Phoenix, David; Mason, A James. "Temporin L and aurein 2.5 have identical conformations but subtly distinct membrane and antibacterial activities" Sci. Rep. 9, 10934-10934 (2019).
PubMed: 31358802

Assembly members:

Assembly members:
entity_1, polymer, 16 residues, 1651.987 Da.

Natural source:

Natural source: Common Name: green and golden bell frog Taxonomy ID: 8371 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Litoria aurea

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GLFDIVKKVVGAFGSL

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
1H chemical shifts	114

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 16 residues - 1651.987 Da.

1

GLY

LEU

PHE

ASP

ILE

VAL

LYS

VAL

2

GLY

ALA

PHE

GLY

SER

LEU

Samples:

sample_1: Aurein 2.5 2 mM; deuterated sodium dodecyl sulphate, [U-98% 2H], 100 mM; 3-(Trimethylsilyl)propionic-2,2,3,3-d4 acid sodium salt, [U-2H], 0.05 % w/w

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

DYNAMO, Delaglio and Kuszewski - refinement, structure calculation

CARA, Keller and Wuthrich - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - peak picking

TOPSPIN, Bruker Biospin - processing

NMR spectrometers:

Bruker AvanceII 700 MHz