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 30214

Title: Ocellatin-LB1, solution structure in DPC micelle by NMR spectroscopy

Deposition date: 2016-12-18 Original release date: 2017-03-24

Authors: Gusmao, K.; dos Santos, D.; Santos, V.; Pilo-Veloso, D.; de Lima, M.; Resende, J.

Citation: Gusmao, K.; dos Santos, D.; Santos, V.; Pilo-Veloso, D.; de Lima, M.. "Ocellatin-LB1"  . ., .-..

Assembly members:
entity_1, polymer, 23 residues, 2195.648 Da.

Natural source:   Common Name: frogs and toads   Taxonomy ID: 326590   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Leptodactylus labyrinthicus

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: GVVDILKGAAKDIAGHLASK VMX

Data sets:
Data typeCount
13C chemical shifts68
15N chemical shifts21
1H chemical shifts143

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 23 residues - 2195.648 Da.

1   GLYVALVALASPILELEULYSGLYALAALA
2   LYSASPILEALAGLYHISLEUALASERLYS
3   VALMETNH2

Samples:

sample_1: D2O, [U-99.75 2H], 5%; DPC, d38, 400 mM; Ocellatin-LB1 1.5 mM

sample_conditions_1: pH: 4; pressure: 1 atm; temperature: 273.15 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

Molmol, Koradi, Billeter and Wuthrich - data analysis

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis

Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton - data analysis

X-PLOR NIH v2.27, Schwieters, Kuszewski, Tjandra and Clore - geometry optimization, refinement, structure calculation

xwinnmr, Bruker Biospin - collection

NMR spectrometers:

  • Bruker AvanceIII 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts