BMRB Entry 18519
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18519
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Title: Retro Trp-cage peptide
Deposition date: 2012-06-13 Original release date: 2012-07-13
Authors: Bathula, Sreenivas Reddy; Sklenar, Vladimir; Zidek, Lukas; Vondrasek, Jiri; Vymetal, Jiri
Citation: Vymetal, Jiri; Bathula, Sreenivas Reddy; Cerny, Jiri; Chaloupkova, Radka; Zidek, Lukas; Sklenar, Vladimir; Vondrasek, Jiri. "From a Structure to Disorder. Retro Operation on the Trp-cage Miniprotein Sequence Produces an Unstructured Molecule Capable of Folding Similar to the Original Only upon TFE Addition" Protein Eng. Des. Sel. ., .-..
Assembly members:
Retro_Trp-cage_peptide, polymer, 20 residues, 2171.435 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):
Retro_Trp-cage_peptide: SPPPRGSSPGGDKLWQIYLN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 65 |
| 1H chemical shifts | 136 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Retro Trp-cage peptide | 1 |
Entities:
Entity 1, Retro Trp-cage peptide 20 residues - 2171.435 Da.
| 1 | SER | PRO | PRO | PRO | ARG | GLY | SER | SER | PRO | GLY | |
| 2 | GLY | ASP | LYS | LEU | TRP | GLN | ILE | TYR | LEU | ASN |
Samples:
sample_1: H2O 60%; D2O, [U-100% 2H], 10%; TFE, [U-99% 2H], 30%; sodium azide 0.03%
sample_conditions_1: ionic strength: 0.015 M; pH: 7.0; pressure: 1 atm; temperature: 275 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - data analysis, peak picking
ARIA, Linge, O, . - structure solution
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Bruker Avance 500 MHz
Related Database Links:
| PDB |