BMRB Entry 30616

Title:
SOLID-STATE NMR STRUCTURE OF PISCIDIN 1 IN ALIGNED 4:1 PHOSPHATIDYLCHOLINE/CHOLESTEROL LIPID BILAYERS
Deposition date:
2019-06-21
Original release date:
2019-10-14
Authors:
Greenwood, A.; Cairns, L.; Fu, R.; Cotten, M.
Citation:

Citation: Comert, Fatih; Heinrich, Frank; Chowdhury, Ananda; Schoeneck, Mason; Darling, Caitlin; Anderson, Kyle; Libardo, M Daben; Angeles-Boza, Alfredo; Silin, Vitalii; Cotten, Myriam; Mihailescu, Mihaela. "Copper-binding anticancer peptides from the piscidin family: an expanded mechanism that encompasses physical and chemical bilayer disruption"  Sci. Rep. 11, 12620-12620 (2021).
PubMed: 34135370

Assembly members:

Assembly members:
entity_1, polymer, 23 residues, 2577.085 Da.

Natural source:

Natural source:   Common Name: Striped bass   Taxonomy ID: 34816   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Morone saxatilis

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: FFHHIFRGIVHVGKTIHRLV TGX

Data sets:
Data typeCount
15N chemical shifts21

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 23 residues - 2577.085 Da.

1   PHEPHEHISHISILEPHEARGGLYILEVAL
2   HISVALGLYLYSTHRILEHISARGLEUVAL
3   THRGLYNH2

Samples:

sample_1: Moronecidin, [15N]-F2I5G8, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM

sample_2: Moronecidin, [15N]-V10G13I16, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM

sample_3: Moronecidin, [15N]-L19V20, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM

sample_4: Moronecidin, [15N]-I9T15, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM

sample_5: Moronecidin, [15N]-F6V12, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM

sample_6: Moronecidin, [15N]-R18, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 1 mM

sample_7: Moronecidin, [15N]-H4, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM

sample_8: Moronecidin, [15N]-K14, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM

sample_9: Moronecidin, [15N]-R7, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM

sample_10: Moronecidin, [15N]-H11, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM

sample_11: Moronecidin, [15N]-H17, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM

sample_12: Moronecidin, [15N]-T21G22, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM

sample_13: Moronecidin, [15N]-H3, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM

sample_conditions_1: ionic strength: 40 mM; pH: 7.4; pressure: 1 atm; temperature: 305 K

Experiments:

NameSampleSample stateSample conditions
15N_1H solid-state de-HETCORsample_1anisotropicsample_conditions_1
15N_1H solid-state de-HETCORsample_3anisotropicsample_conditions_1
15N_1H solid-state de-HETCORsample_4anisotropicsample_conditions_1
15N_1H solid-state de-HETCORsample_5anisotropicsample_conditions_1
15N_1H solid-state de-HETCORsample_6anisotropicsample_conditions_1
15N_1H solid-state de-HETCORsample_2anisotropicsample_conditions_1
15N_1H solid-state de-HETCORsample_7anisotropicsample_conditions_1
15N_1H solid-state de-HETCORsample_8anisotropicsample_conditions_1
15N_1H solid-state de-HETCORsample_9anisotropicsample_conditions_1
15N_1H solid-state de-HETCORsample_10anisotropicsample_conditions_1
15N_1H solid-state de-HETCORsample_11anisotropicsample_conditions_1
15N_1H solid-state de-HETCORsample_12anisotropicsample_conditions_1
15N_1H solid-state de-HETCORsample_13anisotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

XwinNMR v3.5, Bruker Biospin - collection

TopSpin v2.1, Bruker Biospin - collection

NMR spectrometers:

  • Bruker AVANCE 600 MHz
  • Bruker AVANCE 900 MHz
  • Bruker AVANCE 600 MHz