BMRB: 36273

NMR solution structure of Roseltide rT7

Authors

Fan, J.S., Kam, A., Loo, S., Yang, D., Tam, P.J.

Assembly

Roseltide rT7

Entity

1. Roseltide rT7 (polymer, Thiol state: all disulfide bound), 34 monomers, 3705.368 Da Detail

CVSSGIVDAC SECCEPDKCI IMLPTWPPRY VCSV

Formula weight

3705.368 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS1:SG	1:CYS14:SG
2	disulfide	sing	1:CYS10:SG	1:CYS19:SG
3	disulfide	sing	1:CYS13:SG	1:CYS32:SG

Source organism

Hibiscus sabdariffa

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.1 %, Completeness: 75.8 %, Completeness (bb): 96.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	75.8 % (144 of 190)	75.8 % (144 of 190)
Backbone	96.9 % (63 of 65)	96.9 % (63 of 65)
Sidechain	64.8 % (81 of 125)	64.8 % (81 of 125)
Aromatic	80.0 % (8 of 10)	80.0 % (8 of 10)
Methyl	77.8 % (14 of 18)	77.8 % (14 of 18)

1. entity 1

CVSSGIVDAC SECCEPDKCI IMLPTWPPRY VCSV

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 307 (±0.5) K, pH 4 (±0.1), Details 1.0 mM Roseltide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Roseltide	natural abundance	protein	1.0 (±0.1) mM
2	D2O	[U-2H]	solvent	6 %
3	H2O	natural abundance	solvent	94 %

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Protein Blocks Logo

Calculated from 17 models in PDB: 6KLM, Strand ID: A Detail

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Release date

2019-11-13

Citation

Roseltide rT7 is a disulfide-rich, anionic, and cell-penetrating peptide that inhibits proteasomal degradation
Kam, A., Loo, S., Fan, J.S., Sze, S.K., Yang, D., Tam, J.P.
J. Biol. Chem. (2019), 294, 19604-19615, PubMed 31727740 , DOI 10.1074/jbc.RA119.010796 , Abstract

Related entities 1. Roseltide rT7, : 1 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail