BMRB Entry 15293
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15293
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Citation: Harris, Karen; Casey, Joanne; Coley, Andrew; Karas, John; Sabo, Jennifer; Tan, Yen Yee; Dolezal, Olan; Norton, Raymond; Hughes, Andrew; Scanlon, Denis; Foley, Michael. "Rapid optimization of a peptide inhibitor of malaria parasite invasion by comprehensive N-methyl scanning." J. Biol. Chem. 284, 9361-9371 (2009).
PubMed: 19164290
Assembly members:
N-Me-Leu8/N-Me-Ser14, polymer, 20 residues, Formula weight is not available
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):
N-Me-Leu8/N-Me-Ser14: VFAEFLPXFSKFGXRMHILK
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 130 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | N-Me-Leu8/N-Me-Ser14 | 1 |
Entities:
Entity 1, N-Me-Leu8/N-Me-Ser14 20 residues - Formula weight is not available
Methylation of backbone amide for Leu8 and Ser14
| 1 | VAL | PHE | ALA | GLU | PHE | LEU | PRO | 2ML | PHE | SER | |
| 2 | LYS | PHE | GLY | DSE | ARG | MET | HIS | ILE | LEU | LYS |
Samples:
sample_1: N-Me-Leu8/N-Me-Ser14 1.7 mM; H2O 95%; D2O 5%
sample_conditions_1: pH: 4.7; pressure: 1 atm; temperature: 278 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 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v1.3, Bruker Biospin - collection, processing
NMR spectrometers:
- Bruker DRX 600 MHz