BMRB: 34405

NMR structure of pleurocidin VA in SDS micelles

Authors

Manzo, G., Mason, A.J.

Assembly

Pleurocidin

Entity

1. Pleurocidin (polymer, Thiol state: not present), 25 monomers, 2655.020 Da Detail

GWGSFFKKAA HAGKHAGKAA LTHYL

Formula weight

2655.02 Da

Source organism

Pseudopleuronectes americanus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 96.0 %, Completeness: 65.1 %, Completeness (bb): 92.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	65.1 % (95 of 146)	65.1 % (95 of 146)
Backbone	92.6 % (50 of 54)	92.6 % (50 of 54)
Sidechain	48.9 % (45 of 92)	48.9 % (45 of 92)
Aromatic	0.0 % (0 of 26)	0.0 % (0 of 26)
Methyl	100.0 % (11 of 11)	100.0 % (11 of 11)

1. entity 1

GWGSFFKKAA HAGKHAGKAA LTHYL

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Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.00, Details 0.5 mM NA Pleurocidin VA, 50 mM U-98% 2D deuterated sodium dodecyl sulphate (SDS-d25), 5 mM U-98% 2D Tris(hydroxymethyl-d3)-amino-d2-methane, 0.05 % w/w U-99.9% 2D 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, sodium salt, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Pleurocidin VA	natural abundance		0.5 mM
2	deuterated sodium dodecyl sulphate (SDS-d25)	[U-98% 2D]		50 mM
3	Tris(hydroxymethyl-d3)-amino-d2-methane	[U-98% 2D]		5 mM
4	3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, sodium salt	[U-99.9% 2D]		0.05 % w/w

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Protein Blocks Logo

Calculated from 50 models in PDB: 6RSG, Strand ID: A Detail

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Release date

2020-06-21

Citation

A pleurocidin analogue with greater conformational flexibility, enhanced antimicrobial potency and in vivo therapeutic efficacy
Manzo, G., Hind, C.K., Ferguson, P.M., Amison, R.T., Hodgson-Casson, A.C., Ciazynska, K.A., Weller, B.J., Clarke, M., Lam, C., Man, R., Shaughnessy, B., Clifford, M., Bui, T.T., Drake, A.F., Atkinson, R.A., Lam, J., Pitchford, S.C., Page, C.P., Phoenix, D.A., Lorenz, C.D., Sutton, J.M., Mason, A.J.
Commun. Biol. (2020), 3, 697-697, PubMed 33247193 , DOI 10.1038/s42003-020-01420-3 , Abstract

Related entities 1. Pleurocidin, : 1 : 4 : 4 entities Detail

Experiments performed 2 experiments Detail

Chemical shift validation 3 contents Detail