BMRB Entry 19658
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19658
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Title: The solution NMR structure of maximin-4 in SDS micelles PubMed: 21234559
Deposition date: 2013-12-05 Original release date: 2013-12-23
Authors: Toke, Orsolya; Banoczi, Zoltan; Kiraly, Peter; Heinzmann, Ralf; Burck, Jochen; Ulrich, Anne; Hudecz, Ferenc
Citation: Toke, Orsolya; Banoczi, Zoltan; Kiraly, Peter; Heinzmann, Ralf; Burck, Jochen; Ulrich, Anne; Hudecz, Ferenc. "A kinked antimicrobial peptide fromBombina maxima. I. Three-dimensional structure determined by NMR in membrane-mimicking environments" Eur. Biophys. J. 40, 447-462 (2011).
Assembly members:
maximin-4, polymer, 27 residues, 2617.163 Da.
Natural source: Common Name: large-webbed bell toad Taxonomy ID: 161274 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bombina maxima
Experimental source: Production method: chemical synthesis Host organism: not applicable
Entity Sequences (FASTA):
maximin-4: GIGGVLLSAGKAALKGLAKV
LAEKYAN
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 188 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | maximin-4 | 1 |
Entities:
Entity 1, maximin-4 27 residues - 2617.163 Da.
| 1 | GLY | ILE | GLY | GLY | VAL | LEU | LEU | SER | ALA | GLY | ||||
| 2 | LYS | ALA | ALA | LEU | LYS | GLY | LEU | ALA | LYS | VAL | ||||
| 3 | LEU | ALA | GLU | LYS | TYR | ALA | ASN |
Samples:
maximin-4-SDS: maximin-41 – 1.2 mM; sodium-phosphate 10 mM; d25-sodium-dodecyl-sulfate, [U-100% 2H], 200 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 220 mM; pH: 5.0; pressure: 1 atm; temperature: 313 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | maximin-4-SDS | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | maximin-4-SDS | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | maximin-4-SDS | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | maximin-4-SDS | isotropic | sample_conditions_1 |
Software:
VNMRJ, Varian - collection
FELIX, Accelrys - peak picking, processing
ARIA, Linge, O'Donoghue and Nilges - geometry optimization, refinement, structure solution
NMR spectrometers:
- Varian Varian NMR System 600 MHz
Related Database Links:
| APD | AP00061 |