BMRB Entry 25169

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for RCB-1 peptide
Published: 2015-08-31

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PDB ID: 2mtm
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25169
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for RCB-1 peptide PubMed: 26509914

Deposition date: 2014-08-21 Original release date: 2015-08-31

Authors: Boldbaatar, Delgerbat; Elseedi, Hesham

Citation: Boldbaatar, Delgerbat; Gunasekera, Sunithi; Elseedi, Hesham; Goransson, Ulf. "Synthesis, Structural Characterization, and Bioactivity of the Stable Peptide RCB-1 from Ricinus communis" J. Nat. Prod. 78, 2545-2551 (2015).

Assembly members:
RCB-1, polymer, 19 residues, 2073.630 Da.

Natural source: Common Name: castor bean Taxonomy ID: 3988 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Ricinus Communis

Experimental source: Production method: chemical synthesis Host organism: Ricinus communis (L.)

Entity Sequences (FASTA):
RCB-1: ARCCLVMPVPPFACVKFCS

Data sets:

assigned_chemical_shifts
- RCB-1_assigned_chem_shift_list

Data type	Count
13C chemical shifts	38
15N chemical shifts	15
1H chemical shifts	128

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RCB-1	1

Entities:

Entity 1, RCB-1 19 residues - 2073.630 Da.

1

ALA

ARG

CYS

LEU

VAL

MET

PRO

VAL

PRO

2

PRO

PHE

ALA

CYS

VAL

LYS

PHE

CYS

SER

Samples:

RCB-1_sample: RCB-1 1 mM; H2O 90%; D2O 10%

RCB-1_conditions_1: pH: 5; temperature: 290 K

RCB-1_conditions_2: pH: 5; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	RCB-1_sample	isotropic	RCB-1_conditions_1
2D 1H-1H NOESY	RCB-1_sample	isotropic	RCB-1_conditions_1
2D DQF-COSY	RCB-1_sample	isotropic	RCB-1_conditions_1
2D 1H-15N HSQC	RCB-1_sample	isotropic	RCB-1_conditions_1
2D 1H-13C HSQC	RCB-1_sample	isotropic	RCB-1_conditions_1

Software:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker Avance 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts