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 11554

Title: Structure of anoplin double mutant R5F T8W in DPC micelles

Deposition date: 2014-02-10 Original release date: 2014-12-01

Authors: Uggerhoej, Lars; Poulsen, Tanja; Wimmer, Reinhard

Citation: Uggerhoej, Lars; Poulsen, Tanja; Munk, Jens; Fredborg, Marlene; Sondergaard, Teis; Frimodt-Moeller, Niels; Hansen, Paul; Wimmer, Reinhard. "Rational Design of alpha-helical antimicrobial peptides: DOs and DON'Ts"  ChemBioChem ., .-..

Assembly members:
anoplin, polymer, 11 residues, Formula weight is not available

Natural source:   Common Name: Anoplius samariensis   Taxonomy ID: 200614   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Anoplius samariensis

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Data sets:
Data typeCount
1H chemical shifts88

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Entity Assembly IDEntity NameEntity ID


Entity 1, anoplin 11 residues - Formula weight is not available

C-terminal amidation

2   NH2


sample_1: anoplin 3 mM; DPC, [U-98% 2H], 150 mM; potassium phosphate 10 mM; sodium azide 2 mM; H2O 95%; D2O, [U-99% 2H], 5%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 310.1 K


NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1


TOPSPIN v3.1, Bruker Biospin - collection, processing

CARA v1.5.5, Keller and Wuthrich - chemical shift assignment

CYANA v2, Guntert, Mumenthaler and Wuthrich - geometry optimization

YASARA v12.1.19, Yasara Biosciences, Elmar Krieger - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz