BMRB Entry 20037

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20037

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Title:
Cyclic Pseudotetrapeptide D-Phe-L-Trp-L-Lys-L-Thr
Deposition date:
2008-08-21
Original release date:
2009-03-06
Authors:
Beierle, John
Citation:

Citation: Beierle, John; Horne, W. Seth; van Maarseveen, Jan; Waser, Beatrice; Reubi, Jean Claude; Ghadiri, M. Reza. "Conformationally Homogeneous Heterocyclic Pseudotetrapeptides as Three-Dimensional Scaffolds for Rational Drug Design: Receptor-Selective Somatostatin Analogues"  Angew. Chem., Int. Ed. 48, 4725-4729 (2009).
PubMed: 19266506

Assembly members:

Assembly members:
14dFWKT, polymer, 4 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
14dFWKT: XWKT

Data sets:
Data typeCount
1H chemical shifts33

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Cyclic pseudotetrapeptide1

Entities:

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

1   DPNTRPLYSTHR

Samples:

sample_1: cyclo[1,4-1,2,3-triazole-D-Phe-L-Trp-L-Lys-L-Thr]7 – 12 mM

sample_conditions_1: pH: .; temperature: 295 K

Experiments:

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

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

  • Bruker DRX 600 MHz