BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 20072

Title: Probing the Bioactive Conformation of an Archetypal Natural Product HDAC Inhibitor Using Conformationally Homogeneous Triazole-Modified Cyclic Tetrapeptides   PubMed: 19267380

Authors: Beierle, John

Citation: Horne, W. Seth; Olsen, Christian; Beierle, John; Montero, Ana; Ghadiri, M. Reza. "Probing the Bioactive Conformation of an Archetypal Natural Product HDAC Inhibitor with Conformationally Homogeneous Triazole-Modified Cyclic Tetrapeptides"  Angew. Chem. Int. Ed. Engl. 48, 4718-4724 (2009).

Assembly members:
cyclo[Trp-Leu-1,5-sub-(1,2,3)-triazole-D-Ala-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-1,5-sub-(1,2,3)-triazole-D-Ala-Aod]: WXXX

Data sets:
Data typeCount
1H chemical shifts30

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1cyclo[Trp-Leu-1,5-sub-(1,2,3)-triazole-D-Ala-Aod]1

Entities:

Entity 1, cyclo[Trp-Leu-1,5-sub-(1,2,3)-triazole-D-Ala-Aod] 4 residues - Formula weight is not available

1   TRPUVRUVRUVR

Samples:

sample_1: cyclo[Trp-Leu-1,5-sub-(1,2,3)-triazole-D-Ala-Aod] 1-10 mM

sample_conditions_1: pH: .; temperature: 295 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 - structure solution

NMR spectrometers:

  • Bruker DRX 600 MHz

Related Database Links: