BMRB: 30833

Solution Structure of NuxVA

Authors

Mari, F., Dovell, S.

Assembly

Conotoxin

Entity

1. Conotoxin (polymer, Thiol state: all disulfide bound), 14 monomers, 1479.807 Da Detail

GCCPAPLTCH CVIY

Formula weight

1479.807 Da

Entity Connection

disulfide 2 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS2:SG	1:CYS9:SG
2	disulfide	sing	1:CYS3:SG	1:CYS11:SG

Source organism

Conus nux

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 91.8 %, Completeness (bb): 96.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	91.8 % (67 of 73)	91.8 % (67 of 73)
Backbone	96.3 % (26 of 27)	96.3 % (26 of 27)
Sidechain	89.1 % (41 of 46)	89.1 % (41 of 46)
Aromatic	66.7 % (4 of 6)	66.7 % (4 of 6)
Methyl	100.0 % (8 of 8)	100.0 % (8 of 8)

1. entity 1

GCCPAPLTCH CVIY

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 3.5, Details 1.275 mM nuxVA, 10 % [U-99% 2H] D2O, 0.025 mM TSP, 90 % H2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	nuxVA	natural abundance		1.275 mM
2	D2O	[U-99% 2H]		10 %
3	TSP	natural abundance		0.025 mM
4	H2O	natural abundance		90 %

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Release date

2021-01-07

Citation

Conus venom fractions inhibit the adhesion of Plasmodium falciparum erythrocyte membrane protein 1 domains to the host vascular receptors
Padilla, A., Dovell, S., Chesnokov, O., Hoggard, M., Oleinikov, A.V., Mari, F.
J. Proteomics (2021), 234, 104083-104083, PubMed 33373718 , DOI 10.1016/j.jprot.2020.104083 , Abstract

Related entities 1. Conotoxin, : 1 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail