BMRB Entry 36044

Name: Structure of gold nano particle-tagged VG16KRKP in Salmonella typhi LPS
Published: 2018-07-10

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PDB ID: 5wye
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36044
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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:

Structure of gold nano particle-tagged VG16KRKP in Salmonella typhi LPS

Deposition date:

2017-01-12

Original release date:

2018-07-10

Authors:

Ilyas, H.; Bhunia, A.

Citation:

Citation: Chowdhury, R.; Ilyas, H.; Ghosh, A.; Ali, H.; Ghorai, A.; Midya, A.; Jana, N.; Das, S.; Bhunia, A.. "Multivalent gold nanoparticle-peptide conjugates for targeting intracellular bacterial infections" Nanoscale 9, 14074-14093 (2017).
PubMed: 28901372

Assembly members:

Assembly members:
Au-VG16KRKP, polymer, 16 residues, 1765.157 Da.

Natural source:

Natural source: Common Name: Dengue virus Taxonomy ID: 12637 Superkingdom: Viruses Kingdom: not available Genus/species: Flavivirus not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Au-VG16KRKP: VARGWKRKCPLFGKGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	104

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 - 1765.157 Da.

1

VAL

ALA

ARG

GLY

TRP

LYS

ARG

LYS

CYS

PRO

2

LEU

PHE

GLY

LYS

GLY

Samples:

sample_1: Au-VG16KRKP 0.5 ± 0.1 mM; LPS from S. typhosa 15 ± 0.1 uM; TSP 1 ± 0.2 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 0.00 M; pH: 6.5; pressure: 1 atm; temperature: 298.15 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, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

Bruker Avance 700 MHz