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 15169

Title: The Trp-cage: Optimizing the Stability of a Globular Miniprotein

Authors: Barua, Bipasha; Andersen, Niels

Assembly members:
TRPCAGE, polymer, 20 residues, 2092.290 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):
TRPCAGE: DAYAQWLKDGGPSSGRPPPS

Data sets:
Data typeCount
1H chemical shifts109

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1trp-cage1

Entities:

Entity 1, trp-cage 20 residues - 2092.290 Da.

1   ASPALATYRALAGLNTRPLEULYSASPGLY
2   GLYPROSERSERGLYARGPROPROPROSER

Samples:

sample_1: TRPCAGE1.0 – 2.0 mM

sample_conditions_1: ionic strength: 0.020 M; pH: 7.00; 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:

AMBER v6, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll - refinement

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

SPARKY v3.11, Goddard - chemical shift assignment

NMRDraw v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

xwinnmr v2.6, Bruker Biospin - collection

NMR spectrometers:

  • Bruker DRX 500 MHz

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