BMRB Entry 25409
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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/BMR25409
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Title: NMR resolved structure of VG16KRKP, an antimicrobial peptide in SDS
Deposition date: 2015-01-01 Original release date: 2015-02-02
Authors: Bhunia, Anirban; Datta, Aritreyee
Citation: Bhunia, Anirban; Datta, Aritreyee. "De-novo design of antimicrobial peptides:insights into membrane permeabilisation, lipopolysachharide fragmentation and application in plant disease control" Not known ., .-..
Assembly members:
antimicrobial_peptide, polymer, 16 residues, 1765.171 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
antimicrobial_peptide: VARGWKRKCPLFGKGG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 93 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | antimicrobial_peptide | 1 |
Entities:
Entity 1, antimicrobial_peptide 16 residues - 1765.171 Da.
| 1 | VAL | ALA | ARG | GLY | TRP | LYS | ARG | LYS | CYS | PRO | ||||
| 2 | LEU | PHE | GLY | LYS | GLY | GLY |
Samples:
sample_1: antimicrobial peptide 0.5 mM; H2O 90%; SDS 200 mM; D2O 10%
sample_conditions_1: temperature: 308 K; pH: 4.5; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 500 MHz