BMRB

Biological Magnetic Resonance Data Bank


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BMRB Entry 30483

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30483

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Title: Three-Dimensional Structures for mastoparano-MO

Deposition date: 2018-06-22 Original release date: 2019-06-21

Authors: Alves, E.; Rodrigues, L.; Liao, L.

Citation: Alves, E.; Rodrigues, L.; Liao, L.. "Three-Dimensional Structures for mastoparano-L"  . ., .-..

Assembly members:
entity_1, polymer, 20 residues, 2064.685 Da.

Natural source:   Common Name: not available   Taxonomy ID: 32630   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: recombinant technology   Host organism: synthetic construct

Entity Sequences (FASTA):
entity_1: FLPIIINLKALAALAKKILX

Data typeCount
13C chemical shifts38
15N chemical shifts17
1H chemical shifts127

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 20 residues - 2064.685 Da.

1   PHELEUPROILEILEILEASNLEULYSALA
2   LEUALAALALEUALALYSLYSILELEUNH2

Samples:

sample_1: mastoparano-MO 1 mM; SDS-D25, [U-98% 2H], 100 mM; TMSP-d4, [U-98% 2H], 5 % v/v; H2O 90 % v/v; D2O, [U-99% 2H], 10 % v/v

sample_conditions_1: pH: 4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HMQCsample_1isotropicsample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

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

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

NMR spectrometers:

  • Bruker AvanceIII 500 MHz

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