BMRB Entry 25749
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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/BMR25749
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
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).
PubMed: 26407061
Assembly members:
entity, polymer, 17 residues, 1896.363 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: XVARGWKRKCPLFGKGG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 101 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 17 residues - 1896.363 Da.
Residue 1 i.e. M corresponds to a 4 carbon long acyl chain (-CH2-CH2-CH2-CH3)
| 1 | PTL | VAL | ALA | ARG | GLY | TRP | LYS | ARG | LYS | CYS | ||||
| 2 | PRO | LEU | PHE | GLY | LYS | GLY | GLY |
Samples:
sample_1: D2O 55.5 mM; H2O 55.5 mM; entity (C4VG16KRKP) 1 mM; TSP 0.5 mM
sample_conditions_1: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 273 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