BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 20065

Title: Design, Synthesis, Biological Evaluation, and Structural Characterization of Potent Histone Deacetylase Inhibitors Based on Cyclic alpha/beta-tetrapeptide architectures   PubMed: 19239270

Authors: Beierle, John

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).

Assembly members:
cyclo[Trp-Leu-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-Leu-BAla-Aod]: WLXX

Data sets:
Data typeCount
1H chemical shifts39

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Cyclic Tetrapeptide 11

Entities:

Entity 1, Cyclic Tetrapeptide 1 4 residues - Formula weight is not available

1   TRPLEUBALAOD

Samples:

sample_1: cyclo[Trp-Leu-BAla-Aod] 1-10 mM

sample_conditions_1: pH: 7; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H ROESYsample_1isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - geometry optimization

NMR spectrometers:

  • Bruker DRX 600 MHz

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