BMRB Entry 36273

Name: NMR solution structure of Roseltide rT7
Published: 2019-11-20

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PDB ID: 6klm
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36273
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR solution structure of Roseltide rT7

Deposition date:

2019-07-30

Original release date:

2019-11-20

Authors:

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

Citation:

Citation: Kam, A.; Loo, S.; Fan, J.; Sze, S.; Yang, D.; Tam, J.. "Roseltide rT7 is a disulfide-rich, anionic, and cell-penetrating peptide that inhibits proteasomal degradation" J. Biol. Chem. 294, 19604-19615 (2019).
PubMed: 31727740

Assembly members:

Assembly members:
entity_1, polymer, 34 residues, 3707.386 Da.

Natural source:

Natural source: Common Name: Hibiscus sabdariffa Taxonomy ID: 183260 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Hibiscus sabdariffa

Experimental source:

Experimental source: Production method: na Host organism: na

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: CVSSGIVDACSECCEPDKCI IMLPTWPPRYVCSV

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	172

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 34 residues - 3707.386 Da.

1

CYS

VAL

SER

GLY

ILE

VAL

ASP

ALA

CYS

2

SER

GLU

CYS

GLU

PRO

ASP

LYS

CYS

ILE

3

ILE

MET

LEU

PRO

THR

TRP

PRO

ARG

TYR

4

VAL

CYS

SER

VAL

Samples:

sample_1: Roseltide 1.0 ± 0.1 mM; D2O, [U-2H], 6%; H2O 94%

sample_conditions_1: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 307 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H ROESY	sample_1	isotropic	sample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

Sparky, Goddard - data analysis, peak picking

NMR spectrometers:

Bruker AVANCE 800 MHz