BMRB Entry 4853

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4853

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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:

1H Chemical Shift Assignment for the Major Conformer in Solution of the Alpha-like Scorpion Toxin LqhIII

Deposition date:

2000-10-11

Original release date:

2008-07-17

Authors:

Krimm, I.; Trivelli, X.; Lancelin, J.

Citation:

Citation: Krimm, I.; Trivelli, X.; Lancelin, J.. "A Cis-trans Isomerism of a Non-prolyl Peptide Bond in Lqh III Alpha-like Scorpion Toxin Revealed by Solution NMR" J. Mol. Biol. ., .-..

Assembly members:

Assembly members:
LQH III ALPHA-LIKE TOXIN, polymer, 68 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Hebraeus yellow scorpion Taxonomy ID: 6884 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Leiurus quinquestriatus

Experimental source:

Experimental source: Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
LQH III ALPHA-LIKE TOXIN: VRDGYIAQPENCVYHCFPGS SGCDTLCKEKGGTSGHCGFK VGHGLACWCNALPDNVGIIV EGEKCHSX

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	406

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	LqhIII	1

Entities:

Entity 1, LqhIII 68 residues - Formula weight is not available

1

VAL

ARG

ASP

GLY

TYR

ILE

ALA

GLN

PRO

GLU

2

ASN

CYS

VAL

TYR

HIS

CYS

PHE

PRO

GLY

SER

3

SER

GLY

CYS

ASP

THR

LEU

CYS

LYS

GLU

LYS

4

GLY

THR

SER

GLY

HIS

CYS

GLY

PHE

LYS

5

VAL

GLY

HIS

GLY

LEU

ALA

CYS

TRP

CYS

ASN

6

ALA

LEU

PRO

ASP

ASN

VAL

GLY

ILE

VAL

7

GLU

GLY

GLU

LYS

CYS

HIS

SER

NH2

Samples:

sample_1: LQH III ALPHA-LIKE TOXIN 2 mM; phosphate 100 mM; H2O 90%; D2O 10%

sample_2: LQH III ALPHA-LIKE TOXIN 2 mM; phosphate 100 mM; D2O 100%

sample_cond_1: pH: 5.8; temperature: 311 K; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	not available	not available	sample_cond_1
2D TOCSY	not available	not available	sample_cond_1
DQF-COSY	not available	not available	sample_cond_1

Software:

GIFA v4.2 - data analysis

XWINNMR vNA - data collection

X-PLOR v3.851 - structure solution

NMR spectrometers:

Bruker Avance DRX 500 MHz

PDB	1BMR 1FH3
SP	P56678
AlphaFold	P56678