BMRB Entry 25946
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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/BMR25946
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Title: Structural insights into interaction of KYE28 and lipopolysachharide PubMed: 27137928
Deposition date: 2016-01-11 Original release date: 2016-05-23
Authors: Bhunia, Anirban; Malmsten, Martin; Datta, Aritreyee
Citation: Datta, Anirban; Malmsten, Martin; Datta, Aritreyee. "Role of Aromatic Amino Acids in Lipopolysaccharide and Membrane Interactions of Antimicrobial Peptides for Use in Plant Disease Control" J. Biol. Chem. 291, 13301-13317 (2016).
Assembly members:
entity, polymer, 28 residues, 3604.278 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: KYEITTIHNLFRKLTHRLFR
RNFGYTLR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 201 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 28 residues - 3604.278 Da.
| 1 | LYS | TYR | GLU | ILE | THR | THR | ILE | HIS | ASN | LEU | ||||
| 2 | PHE | ARG | LYS | LEU | THR | HIS | ARG | LEU | PHE | ARG | ||||
| 3 | ARG | ASN | PHE | GLY | TYR | THR | LEU | ARG |
Samples:
sample_1: entity 1 mM; TSP 1 mM; H2O 90%; D2O 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 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure solution
NMR spectrometers:
- Bruker Ascend TM 700 MHz