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 18023

Title: Cyclo-TC1 Trp-cage   PubMed: 22802678

Deposition date: 2011-10-26 Original release date: 2012-07-16

Authors: Lin, Jasper; Scian, Michele; Andersen, Niels

Citation: Scian, Michele; Lin, Jasper; Le Trong, Isolde; Makhatadze, George; Stenkamp, Ronald; Andersen, Niels. "Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction."  Proc. Natl. Acad. Sci. U.S.A. 109, 12521-12525 (2012).

Assembly members:
Cyclo-TC1, polymer, 22 residues, 2144.259 Da.

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):
Cyclo-TC1: GDAYAQWLADGGPSSGRPPP SG

Data sets:
Data typeCount
1H chemical shifts124

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Cyclo-TC1 Trp-cage1

Entities:

Entity 1, Cyclo-TC1 Trp-cage 22 residues - 2144.259 Da.

1   GLYASPALATYRALAGLNTRPLEUALAASP
2   GLYGLYPROSERSERGLYARGPROPROPRO
3   SERGLY

Samples:

sample_1: cyclo-TC11.0 – 1.5 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 50. mM; pH: 7.0; pressure: 1 atm; temperature: 280 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

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

NMR spectrometers:

  • Bruker DRX 500 MHz
  • Bruker Avance 750 MHz

Related Database Links:

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