BMRB Entry 30616

Name: SOLID-STATE NMR STRUCTURE OF PISCIDIN 1 IN ALIGNED 4:1 PHOSPHATIDYLCHOLINE/CHOLESTEROL LIPID BILAYERS
Published: 2019-10-14

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PDB ID: 6pf0
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR30616
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
15N chemical shifts	21

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 23 residues - 2577.085 Da.

1

PHE

HIS

ILE

PHE

ARG

GLY

ILE

VAL

2

HIS

VAL

GLY

LYS

THR

ILE

HIS

ARG

LEU

VAL

3

THR

GLY

NH2

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:

Name	Sample	Sample state	Sample conditions
15N_1H solid-state de-HETCOR	sample_1	anisotropic	sample_conditions_1
15N_1H solid-state de-HETCOR	sample_3	anisotropic	sample_conditions_1
15N_1H solid-state de-HETCOR	sample_4	anisotropic	sample_conditions_1
15N_1H solid-state de-HETCOR	sample_5	anisotropic	sample_conditions_1
15N_1H solid-state de-HETCOR	sample_6	anisotropic	sample_conditions_1
15N_1H solid-state de-HETCOR	sample_2	anisotropic	sample_conditions_1
15N_1H solid-state de-HETCOR	sample_7	anisotropic	sample_conditions_1
15N_1H solid-state de-HETCOR	sample_8	anisotropic	sample_conditions_1
15N_1H solid-state de-HETCOR	sample_9	anisotropic	sample_conditions_1
15N_1H solid-state de-HETCOR	sample_10	anisotropic	sample_conditions_1
15N_1H solid-state de-HETCOR	sample_11	anisotropic	sample_conditions_1
15N_1H solid-state de-HETCOR	sample_12	anisotropic	sample_conditions_1
15N_1H solid-state de-HETCOR	sample_13	anisotropic	sample_conditions_1