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 18965

Title: Solution Structure of Marine Sponge-Derived Asteropsin E Which is Highly Resistant to Gastrointestinal Proteases   PubMed: 24499386

Deposition date: 2013-01-21 Original release date: 2014-03-10

Authors: Li, Huayue; Jung, Jee

Citation: Li, Huayue; Su, Mingzhi; Hamann, Mark; Bowling, John; Kim, Hyung Sik; Jung, Jee. "Solution structure of a sponge-derived cystine knot peptide and its notable stability."  J. Nat. Prod. 77, 304-310 (2014).

Assembly members:
Asteropsin_E, polymer, 33 residues, 3547.069 Da.

Natural source:   Common Name: Marine Sponge   Taxonomy ID: 350938   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Asteropus not available

Experimental source:   Production method: purified from the natural source   Host organism: Asteropus sp.

Entity Sequences (FASTA):
Asteropsin_E: CPGEGEQCDVEFNPCCPPLT CIPGDPYGICYII

Data sets:
Data typeCount
13C chemical shifts109
1H chemical shifts212

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Marine Sponge-Derived Asteropsin E1

Entities:

Entity 1, Marine Sponge-Derived Asteropsin E 33 residues - 3547.069 Da.

1   CYSPROGLYGLUGLYGLUGLNCYSASPVAL
2   GLUPHEASNPROCYSCYSPROPROLEUTHR
3   CYSILEPROGLYASPPROTYRGLYILECYS
4   TYRILEILE

Samples:

ABU10-6: Asteropsin E 10 mg/mL

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYABU10-6isotropicsample_conditions_1
2D 1H-1H TOCSYABU10-6isotropicsample_conditions_1
2D DQF-COSYABU10-6isotropicsample_conditions_1
2D 1H-13C HSQCABU10-6isotropicsample_conditions_1

Software:

CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

CYANA v2.0, Guntert, Mumenthaler and Wuthrich - refinement

SPARKY, Goddard - data analysis

NMR spectrometers:

  • Bruker BioSpin GmbH 900 MHz

Related Database Links:

BMRB 18784
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