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 18783

Title: SOLUTION NMR STRUCTURE OF ASTEROPSIN B FROM A MARINE SPONGE ASTEROPUS SP.   PubMed: 24225326

Authors: Li, Huayue; Bowling, John; Hamann, Mark; Jung, Jee

Citation: Li, Huayue; Bowling, John; Su, Mingzhi; Hong, Jongki; Lee, Bong-Jin; Hamann, Mark; Jung, Jee. "Asteropsins B-D, sponge-derived knottins with potential utility as a novel scaffold for oral peptide drugs."  Biochim. Biophys. Acta 1840, 977-984 (2014).

Assembly members:
ABU8-2, polymer, 37 residues, 3905.378 Da.

Natural source:   Common Name: sponges   Taxonomy ID: 350938   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Asteropus sp.

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

Entity Sequences (FASTA):
ABU8-2: XGCAFEGESCNVEFYPCCPG LGLTCIPGNPDGTCYYL

Data sets:
Data typeCount
13C chemical shifts118
1H chemical shifts339

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1ASTEROPSIN B FROM MARINE SPONGE ASTEROPUS1

Entities:

Entity 1, ASTEROPSIN B FROM MARINE SPONGE ASTEROPUS 37 residues - 3905.378 Da.

1   PCAGLYCYSALAPHEGLUGLYGLUSERCYS
2   ASNVALGLUPHETYRPROCYSCYSPROGLY
3   LEUGLYLEUTHRCYSILEPROGLYASNPRO
4   ASPGLYTHRCYSTYRTYRLEU

Samples:

sample_ABU8-2: ABU8-2 10 mM; DMSO-d6 100%

ABU8-2_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYsample_ABU8-2isotropicABU8-2_conditions_1
2D 1H-1H TOCSYsample_ABU8-2isotropicABU8-2_conditions_1
2D 1H-1H NOESYsample_ABU8-2isotropicABU8-2_conditions_1
2D 1H-13C HSQCsample_ABU8-2isotropicABU8-2_conditions_1

Software:

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

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 500 MHz

Related Database Links:

BMRB 18300
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