BMRB Entry 30482

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30482
MolProbity Validation Chart

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Title:
Three-Dimensional Structures for mastoparano-L
Deposition date:
2018-06-21
Original release date:
2019-06-21
Authors:
Alves, E.; Rodriguez, L.; Liao, L.
Citation:

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

Assembly members:

Assembly members:
entity_1, polymer, 15 residues, 1480.923 Da.

Natural source:

Natural source:   Common Name: Vespula lewisii   Taxonomy ID: 7452   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Vespula lewisii

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: INLKALAALAKKILX

Data typeCount
13C chemical shifts20
15N chemical shifts15
1H chemical shifts118

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 15 residues - 1480.923 Da.

1   ILEASNLEULYSALALEUALAALALEUALA
2   LYSLYSILELEUNH2

Samples:

sample_1: mastoparano-L 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 HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks