BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 15272

Title: The NMR solution structure of a pH sensitive,D-amino acid containing conopeptide, mr12 .   PubMed: 18355315

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

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).

Assembly members:
mr12_at_pH5, polymer, 15 residues, 1935.080 Da.

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

Experimental source:   Production method: chemical synthesis   Host organism: Conus marmoreus

Entity Sequences (FASTA):
mr12_at_pH5: DWEYHAHPKXNSXWT

Data sets:
Data typeCount
1H chemical shifts86

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1chain A1

Entities:

Entity 1, chain A 15 residues - 1935.080 Da.

1   ASPTRPGLUTYRHISALAHISPROLYSHYP
2   ASNSERDPNTRPTHR

Samples:

sample_1: mr12 at pH5 2.0 mM; potassium phosphate 20 mM; H2O 90%; D2O 10%

sample_2: mr12 at pH5 2.0 mM; potassium phosphate 20 mM; D2O 100%

sample_conditions_1: ionic strength: 20 mM; pH: 5; pressure: 1 atm; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1

Software:

xwinnmr v3.5, Bruker Biospin - collection

TOPSPIN v1.3, 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

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