BMRB Entry 15273

Name: A L-amino acid mutant of a D-amino acid containing conopeptide
Published: 2008-06-12

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PDB ID: 2jqc
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15273
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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:

A L-amino acid mutant of a D-amino acid containing conopeptide

Deposition date:

2007-05-31

Original release date:

2008-06-12

Authors:

Huang, Feijuan; Du, Weihong; Han, Yuhong; Wang, Chunguang; Chi, Chengwu

Citation:

Citation: Han, Yuhong; Huang, Feijuan; Jiang, Hui; Liu, Li; Wang, Qi; Wang, Yanfang; Shao, Xiaoxia; Chi, Chengwu; Du, Weihong; Wang, Chunguang. "Purification and structural characterization of a D-amino acid-containing conopeptide, conomarphin, from Conus marmoreus" FEBS J. 275, 1976-1987 (2008).
PubMed: 18355315

Assembly members:

Assembly members:
M_cono-toxin, polymer, 15 residues, 1935.080 Da.

Natural source:

Natural source: Common Name: gastropods Taxonomy ID: 42752 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus marmoreus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
M_cono-toxin: DWEYHAHPKXNSFWT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	80

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	conopeptide mr12 mutant	1

Entities:

Entity 1, conopeptide mr12 mutant 15 residues - 1935.080 Da.

1

ASP

TRP

GLU

TYR

HIS

ALA

HIS

PRO

LYS

HYP

2

ASN

SER

PHE

TRP

THR

Samples:

sample_1: M cono-toxin mr12 mutant 2.0 mM; H2O 90%; D2O 10%

sample_2: M cono-toxin mr12 mutant 2.0 mM; D2O 100%

sample_conditions_1: pH: 3; pressure: 1 atm; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1

Software:

xwinnmr v3.5, Bruker Biospin - collection

TOPSPIN v1.3B, Bruker Biospin - processing

SPARKY v3.113, Goddard - data analysis

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - geometry optimization

AMBER v9.0, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll - refinement

NMR spectrometers:

Bruker DRX 600 MHz