BMRB Entry 26038
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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/BMR26038
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Title: WWWKYE21 structure in LPS PubMed: 28303012
Deposition date: 2016-04-18 Original release date: 2017-02-23
Authors: Datta, Aritreyee; Bhunia, Anirban
Citation: Singh, Shalini; Datta, Aritreyee; Schmidtchen, Artur; Bhunia, Anirban; Malmsten, Martin. "Tryptophan end-tagging for promoted lipopolysaccharide interactions and anti-inflammatory effects." Sci. Rep. 7, 212-212 (2017).
Assembly members:
entity, polymer, 24 residues, 3309.950 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: WWWKYEITTIHNLFRKLTHR
LFRR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 181 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 24 residues - 3309.950 Da.
| 1 | TRP | TRP | TRP | LYS | TYR | GLU | ILE | THR | THR | ILE | ||||
| 2 | HIS | ASN | LEU | PHE | ARG | LYS | LEU | THR | HIS | ARG | ||||
| 3 | LEU | PHE | ARG | ARG |
Samples:
sample_1: entity 1 mM; sodium phosphate 10 mM; DSS 1 mM; H2O 90%; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 0.01 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 NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Ascend TM 700 MHz