BMRB Entry 30558

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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/BMR30558
MolProbity Validation Chart

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Title:
NMR structure of WW295
Deposition date:
2019-01-10
Original release date:
2020-07-13
Authors:
Wang, G.; Zarena, D.
Citation:

Citation: Lakshmaiah Narayana, Jayaram; Mishra, Biswajit; Lushnikova, Tamara; Wu, Qianhui; Chhonker, Yashpal; Zhang, Yingxia; Zarena, D; Salnikov, Evgeniy; Dang, Xiangli; Wang, Fangyu; Murphy, Caitlin; Foster, Kirk; Gorantla, Santhi; Bechinger, Burkhard; Murry, Daryl; Wang, Guangshun. "Two distinct amphipathic peptide antibiotics with systemic efficacy"  Proc. Natl. Acad. Sci. U. S. A. 117, 19446-19454 (2020).
PubMed: 32723829

Assembly members:

Assembly members:
entity_1, polymer, 9 residues, 1273.551 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: RKIWWWWLX

Data sets:
Data typeCount
13C chemical shifts46
15N chemical shifts10
1H chemical shifts79

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 9 residues - 1273.551 Da.

1   ARGLYSILETRPTRPTRPTRPLEUNH2

Samples:

sample_1: WW295 3.0 ± 0.1 mM

sample_conditions_1: pH: 5.8; 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 DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

Xplor-NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

PIPP, Garrett - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker Avance 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks