BMRB Entry 30833

Name: Solution Structure of NuxVA
Published: 2021-01-25

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PDB ID: 7l7a
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30833
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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 NuxVA

Deposition date:

2020-12-28

Original release date:

2021-01-25

Authors:

Mari, F.; Dovell, S.

Citation:

Citation: Padilla, A.; Dovell, S.; Chesnokov, O.; Hoggard, M.; Oleinikov, A.; Mari, F.. "Conus venom fractions inhibit the adhesion of Plasmodium falciparum erythrocyte membrane protein 1 domains to the host vascular receptors." J. Proteomics 234, 104083-104083 (2020).
PubMed: 33373718

Assembly members:

Assembly members:
entity_1, polymer, 14 residues, 1480.816 Da.

Natural source:

Natural source: Common Name: Conus nux Taxonomy ID: 101310 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus nux

Experimental source:

Experimental source: Production method: na

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GCCPAPLTCHCVIY

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	83

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 14 residues - 1480.816 Da.

1

GLY

CYS

PRO

ALA

PRO

LEU

THR

CYS

HIS

2

CYS

VAL

ILE

TYR

Samples:

sample_1: nuxVA 1.275 mM; D2O, [U-99% 2H], 10%; TSP 0.025 mM; H2O 90%

sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

VNMR, Varian - processing

X-PLOR NIH v2.21, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMRFAM-SPARKY, Goddard - chemical shift assignment

Sparky, Goddard - peak picking

AQUA, Rullmann, Doreleijers and Kaptein - data analysis

PROCHECK / PROCHECK-NMR, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton - data analysis

NMR spectrometers:

Varian INOVA 500 MHz