BMRB Entry 36038
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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/BMR36038
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Title: VG13P structure in LPS PubMed: 28168875
Deposition date: 2016-12-04 Original release date: 2017-06-20
Authors: Datta, A.; Bhunia, A.
Citation: Datta, A.; Jaiswal, N.; Ilyas, H.; Debnath, S.; Biswas, K.; Kumar, D.; Bhunia, A.. "Structural and Dynamic Insights into a Glycine-Mediated Short Analogue of a Designed Peptide in Lipopolysaccharide Micelles: Correlation Between Compact Structure and Anti-Endotoxin Activity." Biochemistry 56, 1348-1362 (2017).
Assembly members:
entity_1, polymer, 13 residues, 1449.745 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: VARGWGRKCPLFG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 78 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 13 residues - 1449.745 Da.
| 1 | VAL | ALA | ARG | GLY | TRP | GLY | ARG | LYS | CYS | PRO | ||||
| 2 | LEU | PHE | GLY |
Samples:
sample_1: Peptide VG13P 1 ± 0.2 mM; LPS 0.02 ± 0.1 mM; TSP 0.1 ± 0.02 mM; H2O 90%; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D homonuclear TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D trNOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement
SPARKY v3.114, Goddard - chemical shift assignment
TOPSPIN v3.1, Bruker Biospin - processing
NMR spectrometers:
- Bruker AvanceIII 500 MHz