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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR30615
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
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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:
entity_1, polymer, 23 residues, 2495.952 Da.
Natural source: Common Name: White bass x Striped bass Taxonomy ID: 45352 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Morone chrysops
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: FIHHIFRGIVHAGRSIGRFL
TGX
Data type | Count |
15N chemical shifts | 20 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | entity_1 | 1 |
Entity 1, entity_1 23 residues - 2495.952 Da.
1 | PHE | ILE | HIS | HIS | ILE | PHE | ARG | GLY | ILE | VAL | ||||
2 | HIS | ALA | GLY | ARG | SER | ILE | GLY | ARG | PHE | LEU | ||||
3 | THR | GLY | NH2 |
sample_1: PISCIDIN-3, [15N]-I2I5G8, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM
sample_2: PISCIDIN-3, [15N]-V10G13I16, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM
sample_3: PISCIDIN-3, [15N]-G17F19L20, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM
sample_4: PISCIDIN-3, [15N]-F1S15, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM
sample_5: PISCIDIN-3, [15N]-R14, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM
sample_6: PISCIDIN-3, [15N]-H4, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM
sample_7: PISCIDIN-3, [15N]-R18, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM
sample_8: PISCIDIN-3, [15N]-F6I9A12, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM
sample_9: PISCIDIN-3, [15N]-F6I9, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM
sample_10: PISCIDIN-3, [15N]-R7, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM
sample_11: PISCIDIN-3, [15N]-T21G22, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM
sample_12: PISCIDIN-3, [15N]-H11, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM
sample_13: PISCIDIN-3, [15N]-H3, 10 ± 1 mM; 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine 320 ± 50 mM; Cholesterol 80 ± 15 mM
sample_14: PISCIDIN-3, [15N]-A12G17, 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
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_2 | 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_9 | anisotropic | sample_conditions_1 |
15N_1H solid-state de-HETCOR | sample_14 | anisotropic | sample_conditions_1 |
15N_1H solid-state de-HETCOR | sample_13 | anisotropic | sample_conditions_1 |
15N_1H solid-state de-HETCOR | sample_12 | anisotropic | sample_conditions_1 |
15N_1H solid-state de-HETCOR | sample_11 | anisotropic | sample_conditions_1 |
15N_1H solid-state de-HETCOR | sample_10 | 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_7 | anisotropic | sample_conditions_1 |
15N_1H solid-state de-HETCOR | sample_8 | anisotropic | sample_conditions_1 |
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
TopSpin v2.1, Bruker Biospin - collection
XwinNMR v3.5, Bruker Biospin - collection