BMRB: 34388

The solution NMR structure of cis-dicarba-brevinin-1BYa in sodium dodecyl sulphate micelles

Authors

Timmons, P.B., O'Flynn, D.P., Conlon, J.M., Hewage, C.M.

Assembly

Brevinin-1BYa

Entity

1. Brevinin-1BYa (polymer, Thiol state: not present), 24 monomers, 2573.206 Da Detail

FLPILASLAA KFGPKLFXLV TKKX

Formula weight

2573.206 Da

Source organism

Rana boylii

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.7 %, Completeness: 86.5 %, Completeness (bb): 97.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	86.5 % (128 of 148)	86.5 % (128 of 148)
Backbone	97.7 % (42 of 43)	97.7 % (42 of 43)
Sidechain	81.9 % (86 of 105)	81.9 % (86 of 105)
Aromatic	40.0 % (6 of 15)	40.0 % (6 of 15)
Methyl	77.8 % (14 of 18)	77.8 % (14 of 18)

1. entity 1

FLPILASLAA KFGPKLFXLV TKKX

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Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 1.5 mM NA- dicarba-brevinin-1BYa, 230 mM sodium dodecyl sulfphate, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	dicarba-brevinin-1BYa	natural abundance		1.5 mM
2	sodium dodecyl sulfphate	natural abundance		230 mM

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Calculated from 20 models in PDB: 6R96, Strand ID: A Detail

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Release date

2019-10-10

Citation 1

Isolation of peptides of the brevinin-1 family with potent candidacidal activity from the skin secretions of the frog Rana boylii
Conlon, J.M., Sonnevend, A., Patel, M., Davidson, C., Nielsen, P.F., Pal, T., Rollins-Smith, L.A.
J. Pept. Res. (2003), 62, 207-213, PubMed 14531844 , Abstract

Show more 2 citaions

Citation 2

Synthesis, conformational analysis and biological properties of a dicarba derivative of the antimicrobial peptide, brevinin-1BYa
Hossain, M.A., Guilhaudis, L., Sonnevend, A., Attoub, S., van Lierop, B.J., Robinson, A.J., Wade, J.D., Conlon, J.M.
Eur. Biophys. J. (2011), 40, 555-564, PubMed 21312033 , DOI 10.1007/s00249-011-0679-2 , Abstract

Citation 3

Insights into conformation and membrane interactions of the acyclic and dicarba-bridged brevinin-1BYa antimicrobial peptides
Timmons, P.B., O'Flynn, D.P., Conlon, J.M., Hewage, C.M.
Eur. Biophys. J. (2019), 48, 701-710, PubMed 31515575 , DOI 10.1007/s00249-019-01395-y , Abstract

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Related entities 1. Brevinin-1BYa, : 1 : 8 : 33 entities Detail

Experiments performed 2 experiments Detail

Chemical shift validation 3 contents Detail