BMRB Entry 25204
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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/BMR25204
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Title: Shifting the Polarity of some Critical Residues in Malarial Peptides Binding to Host Cells is a Key Factor in Breaking Conserved Antigens PubMed: 18473921
Deposition date: 2014-09-05 Original release date: 2015-09-14
Authors: Cifuentes, Gladys; Bermudez, Adriana; Rodriguez, Raul; Patarroyo, Manuel Alfonso; Patarroyo, Manuel Elkin
Citation: Cifuentes, Gladys; Bermudez, Adriana; Rodriguez, Raul; Patarroyo, Manuel Alfonso; Patarroyo, Manuel Elkin. "Shifting the Polarity of some Critical Residues in Malarial Peptides Binding to Host Cells is a Key Factor in Breaking Conserved Antigens" Med. Chem. 4, 278-292 (2008).
Assembly members:
entity, polymer, 21 residues, 2457.902 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: YLGRSGGDIIKKMQTLWDEI
M
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 161 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 21 residues - 2457.902 Da.
| 1 | TYR | LEU | GLY | ARG | SER | GLY | GLY | ASP | ILE | ILE | ||||
| 2 | LYS | LYS | MET | GLN | THR | LEU | TRP | ASP | GLU | ILE | ||||
| 3 | MET |
Samples:
sample_1: entity10 – 12 mM; H2O 70%; trifluoroethanol 30%
sample_conditions_1: pH: 3.7; pressure: 1 atm; temperature: 295 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
InsightII, Accelrys Software Inc. - geometry optimization, refinement
NMR spectrometers:
- Bruker DRX 500 MHz