BMRB Entry 30409

Title:
Isolation, Characterization, and Synthesis of the Barrettides: Disulfide-Containing Peptides from the Marine Sponge Geodia barretti
Deposition date:
2018-02-14
Original release date:
2018-03-16
Authors:
Rosengren, K.; Carstens, B.; Clark, R.; Goransson, U.
Citation:

Citation: Carstens, B.; Rosengren, K.; Gunasekera, S.; Schempp, S.; Bohlin, L.; Dahlstrom, M.; Clark, R.; Goransson, U.. "Isolation, Characterization, and Synthesis of the Barrettides: Disulfide-Containing Peptides from the Marine Sponge Geodia barretti."  J. Nat. Prod. 78, 1886-1893 (2015).
PubMed: 26222779

Assembly members:

Assembly members:
entity_1, polymer, 31 residues, 3220.458 Da.

Natural source:

Natural source:   Common Name: Geodia barretti   Taxonomy ID: 519541   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Geodia barretti

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DVSPCFCVEDETSGAKTCVP DNCDASRGTNP

Data sets:
Data typeCount
13C chemical shifts64
15N chemical shifts26
1H chemical shifts126

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 31 residues - 3220.458 Da.

1   ASPVALSERPROCYSPHECYSVALGLUASP
2   GLUTHRSERGLYALALYSTHRCYSVALPRO
3   ASPASNCYSASPALASERARGGLYTHRASN
4   PRO

Samples:

sample_1: barrettide A 1.2 mM

sample_2: barrettide A 0.62 mM

sample_conditions_1: ionic strength: 0 M; pH: 5.15; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-1H ECOSYsample_2isotropicsample_conditions_1

Software:

CcpNMR, CCPN - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

  • Bruker Avance 600 MHz