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 20095

Title: Effects of Peptoid Residue Substitutions on Structural Flexibility and Bacterial-Cell Selectivity of Piscidin 1   PubMed: 20603100

Authors: Kim, Jin-Kyoung; Lee, Sung-Ah; Lee, Jee-Young; Kim, Yangmee

Citation: Kim, Jin-Kyoung; Lee, Sung-Ah; Shin, Soyoung; Lee, Jee-Young; Jeong, Ki-Woong; Nan, Yong Hae; Park, Yong Sun; Shin, Song Yub; Kim, Yangmee. "Structural flexibility and the positive charges are the key factors in bacterial cell selectivity and membrane penetration of peptoid-substituted analog of Piscidin 1."  Biochim. Biophys. Acta 1798, 1913-1925 (2010).

Assembly members:
cis Pis-1[NkG], polymer, 22 residues, Formula weight is not available

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
cis Pis-1[NkG]: FFHHIFRXIVHVGKTIHRLV TG

Data sets:
Data typeCount
1H chemical shifts159

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1cis Pis-1[NkG]1

Entities:

Entity 1, cis Pis-1[NkG] 22 residues - Formula weight is not available

1   PHEPHEHISHISILEPHEARGXILEVAL
2   HISVALGLYLYSTHRILEHISARGLEUVAL
3   THRGLY

Samples:

sample_1: cis Pis-1[NkG]1 – 2 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 4.1; temperature: 313 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

Software:

X-PLOR, Brunger - structure solution

NMR spectrometers:

  • Bruker DMX 600 MHz
  • Bruker Avance 400 MHz

Related Database Links:

BMRB 20094