BMRB Entry 25947

Name: Solution structure of KYE28A in lipopolysachharide
Published: 2016-05-23

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PDB ID: 2nau
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25947
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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:

Solution structure of KYE28A in lipopolysachharide

Deposition date:

2016-01-11

Original release date:

2016-05-23

Authors:

Bhunia, Anirban; Malmsten, Martin; Datta, Aritreyee

Citation:

Citation: Bhunia, Anirban; Malmsten, Martin; Datta, Aritreyee. "Role of Aromatic Amino Acids in Lipopolysaccharide and Membrane Interactions of Antimicrobial Peptides for Use in Plant Disease Control" J. Biol. Chem. 291, 13301-13317 (2016).
PubMed: 27137928

Assembly members:

Assembly members:
entity, polymer, 28 residues, 3283.888 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: KYEITTIHNLARKLTHRLAR RNAGATLR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	183

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 28 residues - 3283.888 Da.

1

LYS

TYR

GLU

ILE

THR

ILE

HIS

ASN

LEU

2

ALA

ARG

LYS

LEU

THR

HIS

ARG

LEU

ALA

ARG

3

ARG

ASN

ALA

GLY

ALA

THR

LEU

ARG

Samples:

sample_1: entity 1 mM; TSP 1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0 M; pH: 4.5; 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:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker Ascend TM 700 MHz