BMRB Entry 19180
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19180
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Title: Trp-cage Circular Permutant PubMed: 24376912
Deposition date: 2013-04-18 Original release date: 2013-12-23
Authors: Byrne, Aimee; Andersen, Niels; Kier, Brandon
Citation: Byrne, Aimee; Kier, Brandon; Williams, D.; Scian, Michele; Andersen, Niels. "Circular Permutation of the Trp-cage: Fold Rescue upon Addition of a Hydrophobic Staple." RSC Adv. 2013, .-. (2013).
Assembly members:
Trp-cage, polymer, 21 residues, 2216.412 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not applicable
Experimental source: Production method: obtained from a vendor
Entity Sequences (FASTA):
Trp-cage: RPPPSDXAAYAQWLADXGWA
S
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 126 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Trp-cage Circular Permutant | 1 |
Entities:
Entity 1, Trp-cage Circular Permutant 21 residues - 2216.412 Da.
| 1 | ARG | PRO | PRO | PRO | SER | ASP | AIB | ALA | ALA | TYR | ||||
| 2 | ALA | GLN | TRP | LEU | ALA | ASP | DAL | GLY | TRP | ALA | ||||
| 3 | SER |
Samples:
sample_1: sodium phosphate 50 mM; H2O 90%; D2O 10%; Trp-cage 1.5 mM
sample_conditions_1: ionic strength: 0.11 M; pH: 7; pressure: 1 atm; temperature: 280 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Bruker DMX 800 MHz
Related Database Links:
| PDB |