BMRB Entry 34649
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34649
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Title: SOLUTION NMR STRUCTURE OF PALUSTRIN-CA IN 50% TRIFLUOROETHANOL PubMed: 34789753
Deposition date: 2021-07-13 Original release date: 2021-11-28
Authors: Timmons, P.; Hewage, C.
Citation: Timmons, P.; Hewage, C.. "Conformation and membrane interaction studies of the potent antimicrobial and anticancer peptide palustrin-Ca" Sci. Rep. 11, 22468-22468 (2021).
Assembly members:
entity_1, polymer, 31 residues, 3308.974 Da.
Natural source: Common Name: American bullfrog, Rana catesbeiana Taxonomy ID: 8400 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Lithobates catesbeianus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GFLDIIKDTGKEFAVKILNN
LKCKLAGGCPP
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 225 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 31 residues - 3308.974 Da.
| 1 | GLY | PHE | LEU | ASP | ILE | ILE | LYS | ASP | THR | GLY | ||||
| 2 | LYS | GLU | PHE | ALA | VAL | LYS | ILE | LEU | ASN | ASN | ||||
| 3 | LEU | LYS | CYS | LYS | LEU | ALA | GLY | GLY | CYS | PRO | ||||
| 4 | PRO |
Samples:
sample_1: Palustrin-Ca 2.27 mM
sample_conditions_1: ionic strength: 0 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | anisotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - processing
NMRFAM-SPARKY, National Magnetic Resonance Facility at Madison - peak picking
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
NAMD, NIH CENTER FOR MACROMOLECULAR MODELING & BIOINFORMATICS UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN - refinement
NMR spectrometers:
- Bruker AVANCE 600 MHz