BMRB Entry 19457

Title:
Solid-state NMR structure of piscidin 3 in aligned 1:1 phosphatidylethanolamine/phosphoglycerol lipid bilayers
Deposition date:
2013-08-28
Original release date:
2014-01-21
Authors:
Fu, R.; Tian, Y.; Perrin Jr., B.; Grant, C.; Pastor, R.; Cotten, M.
Citation:

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).
PubMed: 24410116

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Piscidin_3: FIHHIFRGIVHAGRSIGRFL TGX

Data sets:
Data typeCount
15N chemical shifts21

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

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; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_2: Piscidin 3, [15N]-I2I5G8, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_3: Piscidin 3, [U-15N]-H3, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_4: Piscidin 3, [U-15N]-H4, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_5: Piscidin 3, [15N]-F6I9, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_6: Piscidin 3, [U-15N]-R7, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_7: Piscidin 3, [15N]-V10G13I16, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_8: Piscidin 3, [U-15N]-H11, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_9: Piscidin 3, [U-15N]-R14, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_10: Piscidin 3, [15N]-G17F19L20, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_11: Piscidin 3, [U-15N]-R18, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_12: Piscidin 3, [15N]-T21G22, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_13: Piscidin 3, [15N]-A12G17, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol300 – 400 mM; H2O 100%; phosphate buffer 40 mM

sample_conditions_1: ionic strength: 40 mM; pH: 6.0; pressure: 1 atm; temperature: 305 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 de-HETCORsample_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
15N_1H solid-state de-HETCORsample_13solidsample_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 19456
PDB
SP P0C006
AlphaFold P0C006