BMRB: 30716

Stigmurin

Authors

Rodrigues, S.C.S., Resende, J.M., Araujo, R.M., Pedrosa, M.F.F.

Assembly

Stigmurin

Entity

1. Stigmurin (polymer, Thiol state: not present), 18 monomers, 1794.164 Da Detail

FFSLIPSLVG GLISAFKX

Formula weight

1794.164 Da

Source organism

Tityus stigmurus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.4 %, Completeness: 34.8 %, Completeness (bb): 67.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	34.8 % (72 of 207)	21.0 % (22 of 105)	40.7 % (35 of 86)	93.8 % (15 of 16)
Backbone	67.0 % (67 of 100)	54.3 % (19 of 35)	67.3 % (33 of 49)	93.8 % (15 of 16)
Sidechain	16.4 % (20 of 122)	4.3 % (3 of 70)	32.7 % (17 of 52)
Aromatic	0.0 % (0 of 30)	0.0 % (0 of 15)	0.0 % (0 of 15)
Methyl	19.2 % (5 of 26)	15.4 % (2 of 13)	23.1 % (3 of 13)

1. entity 1

FFSLIPSLVG GLISAFKX

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Sample

Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 2.0 mM Stigmurin, 1.0 mM DSS, trifluoroethanol/water

#	Name	Isotope labeling	Type	Concentration
1	Stigmurin	natural abundance		2.0 mM
2	DSS	natural abundance		1.0 mM

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Protein Blocks Logo

Calculated from 10 models in PDB: 6VL2, Strand ID: A Detail

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Release date

2020-01-27

Citation 1

Structural characterization of a novel peptide with antimicrobial activity from the venom gland of the scorpion Tityus stigmurus: Stigmurin
de Melo, E.T., Estrela, A.B., Santos, E.C., Machado, P.R., Farias, K.J., Torres, T.M., Carvalho, E., Lima, J.P., Silva, A.A.J., Barbosa, E.G., Pedrosa, M.F.F.
Peptides (2015), 68, 3-10, PubMed 25805002 , DOI 10.1016/j.peptides.2015.03.003 , Abstract

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Citation 2

NMR three-dimensional structure of the cationic peptide Stigmurin from Tityus stigmurus scorpion venom: In vitro antioxidant and in vivo antibacterial and healing activity
Silva, A.D., Rodrigues, S.C.S., Santos, E.C.G., Neto, M.F.Q., Rocha, H., Silva-Junior, A.D., Resende, J.M., Araujo, R.M., Pedrosa, M.F.F.
Peptides (2021), 137, 170478-170478, PubMed 33359395 , DOI 10.1016/j.peptides.2020.170478 , Abstract

Hide non-primary 1 citaion

Related entities 1. Stigmurin, : 1 : 1 : 15 entities Detail

Experiments performed 4 experiments Detail