BMRB Entry 25769

Name: Structural elucidation of the frog skin-derived peptide Esculentin-1a[Esc(1-21)NH2] in Lipopolysaccharide and correlation with their function
Published: 2016-02-29

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PDB ID: 2n6m
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25769
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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:

Structural elucidation of the frog skin-derived peptide Esculentin-1a[Esc(1-21)NH2] in Lipopolysaccharide and correlation with their function

Deposition date:

2015-08-26

Original release date:

2016-02-29

Authors:

Ghosh, Anirban; Bhunia, Anirban

Citation:

Citation: Ghosh, Anirban; Bera, Swapna; Shai, Yechiel; Mangoni, Maria Luisa; Bhunia, Anirban. "NMR structure and binding of esculentin-1a (1-21)NH2 and its diastereomer to lipopolysaccharide: Correlation with biological functions" Biochim. Biophys. Acta 1858, 800-812 (2015).
PubMed: 26724203

Assembly members:

Assembly members:
entity, polymer, 21 residues, 2190.757 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: GIFSKLAGKKIKNLLISGLK G

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	120

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 21 residues - 2190.757 Da.

1

GLY

ILE

PHE

SER

LYS

LEU

ALA

GLY

LYS

2

ILE

LYS

ASN

LEU

ILE

SER

GLY

LEU

LYS

3

GLY

Samples:

sample_1: entity 1 mM

sample_conditions_1: pH: 4.5; temperature: 298 K

Experiments:

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

Software:

Cyana, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker DRX 500 MHz