BMRB Entry 36057

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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/BMR36057
MolProbity Validation Chart

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Title:
Solution structure of a novel antimicrobial peptide, P1, from jumper ant Myrmecia pilosula
Deposition date:
2017-02-06
Original release date:
2019-08-06
Authors:
Tseng, T.-S., T.; Chen, C.
Citation:

Citation: Tseng, Tien-Sheng; Tsai, Keng-Chang; Chen, Chinpan. "Characterizing the structure-function relationship reveals the mode of action of a novel antimicrobial peptide, P1, from jumper ant Myrmecia pilosula"  Mol. Biosyst. 13, 1193-1201 (2017).
PubMed: 28470277

Assembly members:

Assembly members:
entity_1, polymer, 20 residues, 2112.609 Da.

Natural source:

Natural source:   Common Name: Jack jumper ant   Taxonomy ID: 13618   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Myrmecia pilosula

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GLGSVFGRLARILGRVIPKV

Data sets:
Data typeCount
15N chemical shifts17
1H chemical shifts138

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 20 residues - 2112.609 Da.

1   GLYLEUGLYSERVALPHEGLYARGLEUALA
2   ARGILELEUGLYARGVALILEPROLYSVAL

Samples:

sample_1: peptide 2 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: pH: 5.0; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1

Software:

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

SPARKY vWIN-92, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

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