BMRB Entry 20069
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20069
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Citation: Montero, Ana; Beierle, John; Olsen, Christian; Ghadiri, M. Reza. "Design, Synthesis, Biological Evaluation, and Structural Characterization of
Potent Histone Deacetylase Inhibitors Based on Cyclic alpha/beta-Tetrapeptide
Architectures" J. Am. Chem. Soc. 131, 3033-3041 (2009).
PubMed: 19239270
Assembly members:
cyclo[Trp-BLeu-BAla-Aod], polymer, 4 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: recombinant technology
Entity Sequences (FASTA):
cyclo[Trp-BLeu-BAla-Aod]: WXXX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 44 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Cyclic Tetrapeptide 1 | 1 |
Entities:
Entity 1, Cyclic Tetrapeptide 1 4 residues - Formula weight is not available
| 1 | TRP | UVR | BAL | UVR |
Samples:
sample_1: cyclo[Trp-BLeu-BAla-Aod] 1-10 mM
sample_conditions_1: pH: 7; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H ROESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - geometry optimization
NMR spectrometers:
- Bruker DRX 600 MHz