BMRB Entry 34322
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34322
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: SOLUTION NMR STRUCTURE OF MAXIMIN 3 IN 50% TRIFLUOROETHANOL PubMed: 30734844
Deposition date: 2018-10-22 Original release date: 2019-03-14
Authors: Benetti, Silvia; Timmons, Patrick; Hewage, Chandralal
Citation: Benetti, S.; Timmons, P.; Hewage, C.. "NMR model structure of the antimicrobial peptide maximin 3." Eur.Biophys.J. 48, 203-212 (2019).
Assembly members:
Maximins 3/H11 type 2, polymer, 27 residues, 2703.207 Da.
Natural source: Common Name: Giant fire-bellied toad Taxonomy ID: 161274 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bombina not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Maximins 3/H11 type 2: GIGGKILSGLKTALKGAAKE
LASTYLH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 44 |
| 1H chemical shifts | 190 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 27 residues - 2703.207 Da.
| 1 | GLY | ILE | GLY | GLY | LYS | ILE | LEU | SER | GLY | LEU | ||||
| 2 | LYS | THR | ALA | LEU | LYS | GLY | ALA | ALA | LYS | GLU | ||||
| 3 | LEU | ALA | SER | THR | TYR | LEU | HIS |
Samples:
sample_1: Maximin 3 0.19 mM
sample_conditions_1: ionic strength: 0 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - processing
NMRFAM-SPARKY, NATIONAL MAGNETIC RESONANCE FACILITY AT MADISON - chemical shift assignment, peak picking
CYANA v2, Guntert, Mumenthaler and Wuthrich - structure calculation
NAMD, UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN - refinement
NMR spectrometers:
- Bruker Avance 600 600.13 MHz