BMRB Entry 19455
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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/BMR19455
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:
Moronecidin, polymer, 23 residues, 2571.1 Da.
Natural source: Common Name: Striped sea-bass Taxonomy ID: 34816 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Morone saxatilis
Experimental source: Production method: chemical synthesis Host organism: non applicable
Entity Sequences (FASTA):
Moronecidin: FFHHIFRGIVHVGKTIHRLV
TGX
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 20 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Moronecidin | 1 |
Entities:
Entity 1, Moronecidin 23 residues - 2571.1 Da.
| 1 | PHE | PHE | HIS | 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]-F1, 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: Moronecidin, [15N]-F2I5G8, 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: Moronecidin, [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: Moronecidin, [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: Moronecidin, [15N]-F6V12, 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: Moronecidin, [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: Moronecidin, [15N]-I9T15, 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: Moronecidin, [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_9: Moronecidin, [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_10: Moronecidin, [15N]-K14, 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: Moronecidin, [U-15N]-H17, 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: Moronecidin, [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_13: Moronecidin, [15N]-L19V20, 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_14: Moronecidin, [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_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 |
| 15N_1H solid-state de-HETCOR | sample_14 | 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