BMRB Entry 25751
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/BMR25751
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Disulphide linked homodimer of designed antimicrobial peptide VG16KRKP PubMed: 26407061
Deposition date: 2015-08-12 Original release date: 2016-03-21
Authors: Datta, Aritreyee; Bhunia, Anirban
Citation: Datta, Aritreyee; Kundu, Pallob; Bhunia, Anirban. "Designing potent antimicrobial peptides by disulphide linked dimerization and N-terminal lipidation to increase antimicrobial activity and membrane perturbation: Structural insights into lipopolysaccharide binding" J. Colloid. Interface Sci. 461, 335-345 (2016).
Assembly members:
entity, 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):
entity: VARGWKRKCPLFGKGG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 102 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 1 |
Entities:
Entity 1, entity_1 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: VG16KRKP DIMER 1 mM; D2O, [U-2H], 10%; H2O 90%; DSS 1 mM
sample_conditions_1: ionic strength: 0 M; pH: 4.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H trNOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure solution
NMR spectrometers:
- Bruker Avance 500 MHz