BMRB Entry 30453
Click here to enlarge.
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/BMR30453
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Trp-cage tr16b R16Nva : Elimination of pH Dependent Interactions PubMed: 30779444
Deposition date: 2018-04-14 Original release date: 2019-03-07
Authors: Byrne, A.; Andersen, N.
Citation: Graham, K.; Byrne, A.; Son, R.; Andersen, N.. "Reversing the typical pH stability profile of the Trp-cage" Biopolymers ., e23260-e23260 (2019).
Assembly members:
entity_1, polymer, 21 residues, 1893.083 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: XAYAQWLADXGPASXXPPPS
X
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 110 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 21 residues - 1893.083 Da.
| 1 | ACE | ALA | TYR | ALA | GLN | TRP | LEU | ALA | ASP | DAL | ||||
| 2 | GLY | PRO | ALA | SER | DAL | NVA | PRO | PRO | PRO | SER | ||||
| 3 | NH2 |
Samples:
sample_1: peptide 1 ± 0.1 mM
sample_conditions_1: ionic strength: 0.019 M; pH: 2.5; pressure: 1 atm; temperature: 280 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 |
Software:
CNS v1.2, Brunger A. T. et.al. - structure calculation
SPARKY, Goddard & Kneller - chemical shift calculation
NMR spectrometers:
- Bruker Avance 750 MHz