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 19456

Title: Solid-state NMR structure of piscidin 3 in aligned 3:1 phosphatidylcholine/phosphoglycerol lipid bilayers   PubMed: 24410116

Authors: Fu, R.; Tian, Y.; Perrin Jr., B.; Grant, C.; Pastor, R.; Cotten, M.

Citation: Perrin Jr., B.; Fu, R.; Tian, Y.; Grant, C.; Wieczorek, W.; Dao, A.; Hayden, R.; Burzynski, C.; Venable, R.; Opella, S.; Pastor, R.; Cotten, M.. "High-Resolution Structures and Orientations of Antimicrobial Peptides Piscidin 1 and Piscidin 3 in Fluid Bilayers Reveal Tilting, Kinking, and Bilayer Immersion"  J. Am. Chem. Soc. 136, 3491-3504 (2014).

Assembly members:
Piscidin_3, polymer, 23 residues, 2490.9 Da.

Natural source:   Common Name: White bass   Taxonomy ID: 46259   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Morone chrysops

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
Piscidin_3: FIHHIFRGIVHAGRSIGRFL TGX

Data sets:
Data typeCount
15N chemical shifts21

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Piscidin 31

Entities:

Entity 1, Piscidin 3 23 residues - 2490.9 Da.

1   PHEILEHISHISILEPHEARGGLYILEVAL
2   HISALAGLYARGSERILEGLYARGPHELEU
3   THRGLYNH2

Samples:

sample_1: Piscidin 3, [15N]-F1S15, 15 – 20 mM; 3:1 (molar) 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine/1,2-dimyristoyl-sn-glycero-3-phosphatidylglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_2: Piscidin 3, [15N]-I2I5G8, 15 – 20 mM; 3:1 (molar) 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine/1,2-dimyristoyl-sn-glycero-3-phosphatidylglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_3: Piscidin 3, [U-15N]-H3, 15 – 20 mM; 3:1 (molar) 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine/1,2-dimyristoyl-sn-glycero-3-phosphatidylglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_4: Piscidin 3, [U-15N]-H4, 15 – 20 mM; 3:1 (molar) 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine/1,2-dimyristoyl-sn-glycero-3-phosphatidylglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_5: Piscidin 3, [15N]-F6I9A12, 15 – 20 mM; 3:1 (molar) 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine/1,2-dimyristoyl-sn-glycero-3-phosphatidylglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_6: Piscidin 3, [U-15N]-R7, 15 – 20 mM; 3:1 (molar) 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine/1,2-dimyristoyl-sn-glycero-3-phosphatidylglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_7: Piscidin 3, [15N]-V10G13I16, 15 – 20 mM; 3:1 (molar) 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine/1,2-dimyristoyl-sn-glycero-3-phosphatidylglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_8: Piscidin 3, [U-15N]-H11, 15 – 20 mM; 3:1 (molar) 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine/1,2-dimyristoyl-sn-glycero-3-phosphatidylglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_9: Piscidin 3, [U-15N]-R14, 15 – 20 mM; 3:1 (molar) 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine/1,2-dimyristoyl-sn-glycero-3-phosphatidylglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_10: Piscidin 3, [15N]-G17F19L20, 15 – 20 mM; 3:1 (molar) 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine/1,2-dimyristoyl-sn-glycero-3-phosphatidylglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_11: Piscidin 3, [U-15N]-R18, 15 – 20 mM; 3:1 (molar) 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine/1,2-dimyristoyl-sn-glycero-3-phosphatidylglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_12: Piscidin 3, [15N]-T21G22, 15 – 20 mM; 3:1 (molar) 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine/1,2-dimyristoyl-sn-glycero-3-phosphatidylglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_conditions_1: ionic strength: 40 mM; pH: 6.0; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
15N_1H solid-state de-HETCORsample_1solidsample_conditions_1
15N_1H solid-state de-HETCORsample_2solidsample_conditions_1
15N_1H solid-state de-HETCORsample_3solidsample_conditions_1
15N_1H solid-state de-HETCORsample_4solidsample_conditions_1
15N_1H solid-state PISEMAsample_5solidsample_conditions_1
15N_1H solid-state de-HETCORsample_6solidsample_conditions_1
15N_1H solid-state de-HETCORsample_7solidsample_conditions_1
15N_1H solid-state de-HETCORsample_8solidsample_conditions_1
15N_1H solid-state de-HETCORsample_9solidsample_conditions_1
15N_1H solid-state de-HETCORsample_10solidsample_conditions_1
15N_1H solid-state de-HETCORsample_11solidsample_conditions_1
15N_1H solid-state de-HETCORsample_12solidsample_conditions_1

Software:

X-PLOR NIH, Brunger A. T. et.al. - refinement, structure solution

NMR spectrometers:

  • Bruker Avance 900 MHz
  • Bruker Avance 600 MHz

Related Database Links:

BMRB 19457
PDB
SP P0C006