BMRB Entry 25202
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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/BMR25202
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Title: Distorting malaria peptide backbone structure to enable fitting into MHC class II molecules renders modified peptides immunogenic and protective.
Deposition date: 2014-09-04 Original release date: 2014-11-10
Authors: Cifuentes, Gladys; Patarroyo, Manuel; Urquiza, Mauricio; Ramirez, Luis; Reyes, Claudia; Rodriguez, Raul
Citation: Cifuentes, Gladys; Patarroyo, Manuel; Urquiza, Mauricio; Ramirez, Luis; Reyes, Claudia; Rodriguez, Raul. "RESIDUES BELONGING THE N-TERMINAL REGION DERIVED OF MEROZOITE SURFACE PROTEIN-2 OF PLASMODIUM FALCIPARUM" J. Med. Chem. 46, 2250-2253.
Assembly members:
entity, polymer, 20 residues, 2397.662 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: KNESKYSNTFINNAYNMSIR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 136 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 20 residues - 2397.662 Da.
| 1 | LYS | ASN | GLU | SER | LYS | TYR | SER | ASN | THR | PHE | |
| 2 | ILE | ASN | ASN | ALA | TYR | ASN | MET | SER | ILE | ARG |
Samples:
sample_1: entity 8 mM; trifluoroethanol 30%; water 70%
sample_conditions_1: temperature: 295 K; pH: 3.7; pressure: 1 atm
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, processing
NMR spectrometers:
- Bruker DRX 500 MHz