BMRB Entry 51729

Name: 1H, 13C, and 15N Chemical Shift Assignments for a-Cobratoxin from Naja Atra
Published: 2023-08-02

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51729

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: 1H, 13C, and 15N Chemical Shift Assignments for a-Cobratoxin from Naja Atra

Deposition date: 2022-12-13 Original release date: 2023-08-02

Authors: Lai, Wen-Chian; Shu, Chiao Hsuan; Wu, Chu Ya; Sue, Shih Che

Citation: Lai, Wen-Chian; Shu, Chiao Hsuan; Wu, Chu Ya; Sue, Shih Che. "1H, 13C, 15N NMR assignments of Naja atra short chain neurotoxin" .

Assembly members:
entity_1, polymer, 63 residues, Formula weight is not available

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET9a

Entity Sequences (FASTA):
entity_1: GLECHNQQSSQTPTTTGCSG GETNCYKKRWRDHRGYRTER GCGCPSVKNGIEINCCTTDR CNN

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	218
15N chemical shifts	68
1H chemical shifts	355

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Neurotoxin	1

Entities:

Entity 1, Neurotoxin 63 residues - Formula weight is not available

1

GLY

LEU

GLU

CYS

HIS

ASN

GLN

SER

2

GLN

THR

PRO

THR

GLY

CYS

SER

GLY

3

GLY

GLU

THR

ASN

CYS

TYR

LYS

ARG

TRP

4

ARG

ASP

HIS

ARG

GLY

TYR

ARG

THR

GLU

ARG

5

GLY

CYS

GLY

CYS

PRO

SER

VAL

LYS

ASN

GLY

6

ILE

GLU

ILE

ASN

CYS

THR

ASP

ARG

7

CYS

ASN

Samples:

sample_1: DSS 5 % v/v; Neurotoxin, [U-99% 15N], 0.2 mM

sample_conditions_1: ionic strength: 0 M; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
2D HBCBCGCDHD	sample_1	isotropic	sample_conditions_1
2D HBCBCGCDCEHE	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1

Software:

SPARKY - chemical shift assignment

NMR spectrometers:

Bruker Avance 850 MHz
Bruker Avance 600 MHz

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