BMRB Entry 19503
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Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19503
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Title: Circular Permutant of the WW Domain with Loop 1 Excised PubMed: 24350581
Deposition date: 2013-09-18 Original release date: 2014-01-13
Authors: Kier, Brandon
Citation: Kier, Brandon; Anderson, Jordan; Andersen, Niels. "Circular Permutation of a WW Domain: Folding Still Occurs after Excising the Turn of the Folding-Nucleating Hairpin." J. Am. Chem. Soc. 136, 741-749 (2014).
Assembly members:
entity, polymer, 29 residues, 3794.438 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):
entity: RWFYFNRITGKRQFERPKGL
VKGWEKRWD
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 225 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | WW Domain with Loop 1 Excised | 1 |
Entities:
Entity 1, WW Domain with Loop 1 Excised 29 residues - 3794.438 Da.
Residues 18-22 are a non-native loop that replaces and joins the N and C terminal regions of the standard-topology WW domain.
| 1 | ARG | TRP | PHE | TYR | PHE | ASN | ARG | ILE | THR | GLY | ||||
| 2 | LYS | ARG | GLN | PHE | GLU | ARG | PRO | LYS | GLY | LEU | ||||
| 3 | VAL | LYS | GLY | TRP | GLU | LYS | ARG | TRP | ASP |
Samples:
sample_1: WW Domain with Loop 1 Excised 1.2 mM; sodium phosphate 50 mM; DSS 0.5 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.11 M; pH: 6.5; 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, Adams, Clore, Gros, Nilges and Read - refinement, structure solution
SPARKY, Goddard - chemical shift assignment, data analysis
NMR spectrometers:
- Bruker Avance 700 MHz
Related Database Links:
| PDB |