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 19455

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

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: 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:
Moronecidin, polymer, 23 residues, 2571.1 Da.

Natural source:   Common Name: not available   Taxonomy ID: 34816   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis' 'non applicable' . . . non applicable . . . . . . . . . . . . . . . . . . . . 'Synthetic construct (Morone saxatilis)

Entity Sequences (FASTA):
Moronecidin: FFHHIFRGIVHVGKTIHRLV TGX

Data sets:
Data typeCount
15N chemical shifts20

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Moronecidin1

Entities:

Entity 1, Moronecidin 23 residues - 2571.1 Da.

1   PHEPHEHISHISILEPHEARGGLYILEVAL
2   HISVALGLYLYSTHRILEHISARGLEUVAL
3   THRGLYNH2

Samples:

sample_1: Moronecidin, [15N]-F1, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol' 'natural abundance 300; natural abundance; .

sample_2: Moronecidin, [15N]-F2I5G8, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol' 'natural abundance 300; natural abundance; .

sample_3: Moronecidin, [U-15N]-H3, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol' 'natural abundance 300; natural abundance; .

sample_4: Moronecidin, [U-15N]-H4, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol' 'natural abundance 300; natural abundance; .

sample_5: Moronecidin, [15N]-F6V12, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol' 'natural abundance 300; natural abundance; .

sample_6: Moronecidin, [U-15N]-R7, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol' 'natural abundance 300; natural abundance; .

sample_7: Moronecidin, [15N]-I9T15, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol' 'natural abundance 300; natural abundance; .

sample_8: Moronecidin, [15N]-V10G13I16, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol' 'natural abundance 300; natural abundance; .

sample_9: Moronecidin, [U-15N]-H11, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol' 'natural abundance 300; natural abundance; .

sample_10: Moronecidin, [15N]-K14, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol' 'natural abundance 300; natural abundance; .

sample_11: Moronecidin, [U-15N]-H17, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol' 'natural abundance 300; natural abundance; .

sample_12: Moronecidin, [U-15N]-R18, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol' 'natural abundance 300; natural abundance; .

sample_13: Moronecidin, [15N]-L19V20, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol' 'natural abundance 300; natural abundance; .

sample_14: Moronecidin, [15N]-T21G22, 15 – 20 mM; 1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol' 'natural abundance 300; natural abundance; .

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
15N_1H solid-state de-HETCORsample_14solidsample_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 15050 19454
PDB
GB AAL49496 AAL57319
SP Q8UUG0