BMRB: 34697

Conformational ensemble of solnatide in solution

Authors

Macias, M.J., Martin-Malpartida, P.

Assembly

Tumor necrosis factor

Entity

1. Tumor necrosis factor (polymer), 17 monomers, 1925.104 Da Detail

CGQRETPEGA EAKPWYC

Formula weight

1925.104 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.1 %, Completeness (bb): 80.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C
All	86.1 % (149 of 173)	92.1 % (93 of 101)	77.8 % (56 of 72)
Backbone	80.7 % (67 of 83)	100.0 % (34 of 34)	67.3 % (33 of 49)
Sidechain	92.4 % (97 of 105)	88.1 % (59 of 67)	100.0 % (38 of 38)
Aromatic	100.0 % (19 of 19)	100.0 % (10 of 10)	100.0 % (9 of 9)
Methyl	100.0 % (6 of 6)	100.0 % (3 of 3)	100.0 % (3 of 3)

1. entity 1

CGQRETPEGA EAKPWYC

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 5, Details 1 mM solnatide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	solnatide	natural abundance		1 mM

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Release date

2022-01-20

Citation

Conformational ensemble of the TNF-derived peptide solnatide in solution
Martin-Malpartida, P., Arrastia-Casado, S., Farrera-Sinfreu, J., Lucas, R., Fischer, H., Fischer, B., Eaton, D.C., Tzotzos, S., Macias, M.J.
Comput. Struct. Biotechnol. J. (2022), 20, 2082-2090, PubMed 35601958 , DOI 10.1016/j.csbj.2022.04.031 , Abstract

Related entities 1. Tumor necrosis factor, : 1 : 43 : 15 entities Detail

Interaction partners 1. Tumor necrosis factor, : 39 interactors Detail

Experiments performed 2 experiments Detail