BMRB Entry 7397

Name: Purification and structural characterization of a D-amino acid containing conopeptide, marmophine, from Conus marmoreus
Published: 2008-06-17

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PDB ID: 2yyf
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR7397
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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:

Purification and structural characterization of a D-amino acid containing conopeptide, marmophine, from Conus marmoreus

Deposition date:

2007-06-29

Original release date:

2008-06-17

Authors:

Huang, F.; Du, W.; Han, Y.; Wang, C.

Citation:

Citation: Han, Y.; Huang, F.; Jiang, H.; Liu, L.; Wang, Q.; Wang, Y.; Shao, X.; Chi, C.; Du, W.; Wang, C.. "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-conotoxin_mr12, polymer, 15 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Shigella flexneri Taxonomy ID: 623 Superkingdom: Bacteria Kingdom: not available Genus/species: Shigella flexneri

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
M-conotoxin_mr12: DWEYHAHPKXNSXWT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	82

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	M-conotoxin_mr12	1

Entities:

Entity 1, M-conotoxin_mr12 15 residues - Formula weight is not available

1

ASP

TRP

GLU

TYR

HIS

ALA

HIS

PRO

LYS

HYP

2

ASN

SER

DPN

TRP

THR

Samples:

sample_1: M-conotoxin_mr12 2.0 mM; H2O 90%; D2O 10%

sample_2: M-conotoxin_mr12 2.0 mM; D2O 99.99%

sample_conditions_1: pH: 3.0; pressure: 1 atm; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	not available	isotropic	sample_conditions_1
2D TOCSY	not available	isotropic	sample_conditions_1
DQF-COSY	not available	isotropic	sample_conditions_1
2D NOESY	not available	isotropic	sample_conditions_1
2D TOCSY	not available	isotropic	sample_conditions_1
DQF-COSY	not available	isotropic	sample_conditions_1

Software:

xwinnmr v3.5, Bruker Inc. - collection

TOPSPIN v1.3B, Bruker Inc. - processing

SPARKY v3.110, T. D. Goddard and D. G. Kneller - structure solution

CYANA v2.1, L. A. Systems, Inc. - structure solution

AMBER v9.0 - refinement

NMR spectrometers:

Bruker AVANCE 600 MHz