BMRB Entry 19923

Name: Backbone 1H Chemical Shift Assignments for BuIIIB[C5U,C17U,C6A,C23A]
Published: 2019-07-12

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19923

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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 Chemical Shift Assignments for BuIIIB[C5U,C17U,C6A,C23A] PubMed: 24814369

Deposition date: 2014-04-18 Original release date: 2019-07-12

Authors: Green, Brad; Zhang, Min-min; Chhabra, Sandeep; Robinson, Samuel; Wilson, Michael; Redding, Addison; Olivera, Baldomero; Yoshikami, Doju; Bulaj, Grzegorz; Norton, Raymond

Citation: Green, Brad; Zhang, Min-Min; Chhabra, Sandeep; Robinson, Samuel; Wilson, Michael; Redding, Addison; Olivera, Baldomero; Yoshikami, Doju; Bulaj, Grzegorz; Norton, Raymond. "Interactions of disulfide-deficient selenocysteine analogs of mu-conotoxin BuIIIB with the alpha-subunit of the voltage-gated sodium channel subtype 1.3" FEBS J 281, 2885-2898 (2014).

Assembly members:
BuIIIB[C5U,C17U,C6A,C23A], polymer, 24 residues, Formula weight is not available

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
BuIIIB[C5U,C17U,C6A,C23A]: VGERXAKNGKRGCGRWXRDH SRAC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	125

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	BuIIB[C5U,C17U,C6A,C23A]	1

Entities:

Entity 1, BuIIB[C5U,C17U,C6A,C23A] 24 residues - Formula weight is not available

1

VAL

GLY

GLU

ARG

SEC

ALA

LYS

ASN

GLY

LYS

2

ARG

GLY

CYS

GLY

ARG

TRP

SEC

ARG

ASP

HIS

3

SER

ARG

ALA

CYS

Samples:

sample_1: BuIIIB[C5U,C17U,C6A,C23A] 160 uM; H2O 95%; D2O 5%

sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 273 K

Experiments:

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

Software:

Analysis, CCPN - chemical shift assignment

NMR spectrometers:

Bruker DRX 600 MHz