BMRB Entry 19457
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19457
MolProbity Validation Chart
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NMR-STAR v3 text file.
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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:
Piscidin_3, polymer, 23 residues, 2490.9 Da.
Natural source: Common Name: White bass Taxonomy ID: 46259 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Morone chrysops
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Piscidin_3: FIHHIFRGIVHAGRSIGRFL
TGX
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 21 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Piscidin 3 | 1 |
Entities:
Entity 1, Piscidin 3 23 residues - 2490.9 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 |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 15N_1H solid-state de-HETCOR | sample_1 | solid | sample_conditions_1 |
| 15N_1H solid-state de-HETCOR | sample_2 | solid | sample_conditions_1 |
| 15N_1H solid-state de-HETCOR | sample_3 | solid | sample_conditions_1 |
| 15N_1H solid-state de-HETCOR | sample_4 | solid | sample_conditions_1 |
| 15N_1H solid-state de-HETCOR | sample_5 | solid | sample_conditions_1 |
| 15N_1H solid-state de-HETCOR | sample_6 | solid | sample_conditions_1 |
| 15N_1H solid-state de-HETCOR | sample_7 | solid | sample_conditions_1 |
| 15N_1H solid-state de-HETCOR | sample_8 | solid | sample_conditions_1 |
| 15N_1H solid-state de-HETCOR | sample_9 | solid | sample_conditions_1 |
| 15N_1H solid-state de-HETCOR | sample_10 | solid | sample_conditions_1 |
| 15N_1H solid-state de-HETCOR | sample_11 | solid | sample_conditions_1 |
| 15N_1H solid-state de-HETCOR | sample_12 | solid | sample_conditions_1 |
| 15N_1H solid-state de-HETCOR | sample_13 | solid | sample_conditions_1 |
Software:
X-PLOR NIH, Brunger A. T. et.al. - refinement, structure solution
NMR spectrometers:
- Bruker Avance 900 MHz
- Bruker Avance 600 MHz