BMRB: 36038

VG13P structure in LPS

Authors

Datta, A., Bhunia, A.

Assembly

analogue peptide VG13P

Entity

1. analogue peptide VG13P (polymer, Thiol state: all free), 13 monomers, 1446.721 Da Detail

VARGWGRKCP LFG

Formula weight

1446.721 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 82.9 %, Completeness (bb): 85.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	82.9 % (68 of 82)	82.9 % (68 of 82)
Backbone	85.7 % (24 of 28)	85.7 % (24 of 28)
Sidechain	81.5 % (44 of 54)	81.5 % (44 of 54)
Aromatic	63.6 % (7 of 11)	63.6 % (7 of 11)
Methyl	100.0 % (5 of 5)	100.0 % (5 of 5)

1. entity 1

VARGWGRKCP LFG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.05) K, pH 4.5 (±0.1), Details 1 mM Peptide VG13P, 0.1 mM TSP, 0.02 mM LPS, 55.5 M Water, 56.5 M D2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Peptide VG13P	natural abundance	protein	1 (±0.2) mM
2	LPS	natural abundance		0.02 (±0.1) mM
3	TSP	natural abundance		0.1 (±0.02) mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

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Calculated from 20 models in PDB: 5WRX, Strand ID: A Detail

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Release date

2017-06-07

Citation

Structural and Dynamic Insights into a Glycine-Mediated Short Analogue of a Designed Peptide in Lipopolysaccharide Micelles: Correlation Between Compact Structure and Anti-Endotoxin Activity
Datta, A., Jaiswal, N., Ilyas, H., Debnath, S., Biswas, K., Kumar, D., Bhunia, A.
Biochemistry (2017), 56, 1348-1362, PubMed 28168875 , DOI 10.1021/acs.biochem.6b01229 , Abstract

Related entities 1. analogue peptide VG13P, : 1 : 4 : 10 : 113 entities Detail

Experiments performed 2 experiments Detail