BMRB Entry 18023
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR18023
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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
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 124 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Cyclo-TC1 Trp-cage | 1 |
Entities:
Entity 1, Cyclo-TC1 Trp-cage 22 residues - 2144.259 Da.
| 1 | GLY | ASP | ALA | TYR | ALA | GLN | TRP | LEU | ALA | ASP | ||||
| 2 | GLY | GLY | PRO | SER | SER | GLY | ARG | PRO | PRO | PRO | ||||
| 3 | SER | GLY |
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:
| 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:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Bruker DRX 500 MHz
- Bruker Avance 750 MHz
Related Database Links:
| PDB |