BMRB: 30442

TFE-induced NMR structure of an antimicrobial peptide (EcDBS1R5) derived from a mercury transporter protein (MerP - Escherichia coli)

Authors

Cardoso, M.H., Chan, L.Y., Candido, E.S., Craik, D.J., Franco, O.L.

Assembly

EcDBS1R5

Entity

1. EcDBS1R5 (polymer, Thiol state: not present), 19 monomers, 2147.753 Da Detail

PMKKLKLALR LAAKIAPVW

Formula weight

2147.753 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 84.7 %, Completeness (bb): 81.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	84.7 % (211 of 249)	97.0 % (128 of 132)	66.7 % (66 of 99)	94.4 % (17 of 18)
Backbone	81.8 % (90 of 110)	100.0 % (36 of 36)	64.9 % (37 of 57)	100.0 % (17 of 17)
Sidechain	88.0 % (139 of 158)	95.8 % (92 of 96)	77.0 % (47 of 61)	0.0 % (0 of 1)
Aromatic	41.7 % (5 of 12)	83.3 % (5 of 6)	0.0 % (0 of 5)	0.0 % (0 of 1)
Methyl	93.8 % (30 of 32)	100.0 % (16 of 16)	87.5 % (14 of 16)

1. entity 1

PMKKLKLALR LAAKIAPVW

Show sample condition

Sample

Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 4.3, Details 1 mM na EcDBS1R5, 30 % na TFE, 60 % na H2O, 10 % na D2O, 10 % na DSS, trifluoroethanol/water

#	Name	Isotope labeling	Type	Concentration
1	EcDBS1R5	natural abundance		1 mM
2	TFE	natural abundance		30 %
3	H2O	natural abundance		60 %
4	D2O	natural abundance		10 %
5	DSS	natural abundance		10 %

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Release date

2018-03-26

Citation

A Computationally Designed Peptide Derived from Escherichia coli as a Potential Drug Template for Antibacterial and Antibiofilm Therapies
Cardoso, M.H., Candido, E.S., Chan, L.Y., Der Torossian Torres, M., Oshiro, K., Rezende, S.B., Porto, W.F., Lu, T.K., de la Fuente-Nunez, C., Craik, D.J., Franco, O.L.
ACS Infect. Dis. (2018), 4, 1727-1736, PubMed 30346140 , DOI 10.1021/acsinfecdis.8b00219 , Abstract

Related entities 1. EcDBS1R5, : 1 : 3 entities Detail

Experiments performed 4 experiments Detail