BMRB Entry 15169
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15169
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Title: The Trp-cage: Optimizing the Stability of a Globular Miniprotein
Deposition date: 2007-03-09 Original release date: 2008-02-11
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
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 109 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | trp-cage | 1 |
Entities:
Entity 1, trp-cage 20 residues - 2092.290 Da.
| 1 | ASP | ALA | TYR | ALA | GLN | TRP | LEU | LYS | ASP | GLY | |
| 2 | GLY | PRO | SER | SER | GLY | ARG | PRO | PRO | PRO | SER |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_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
Related Database Links:
| PDB |