BMRB Entry 30933
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30933
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Solution NMR Structure of [Ala19]Crp4
Deposition date: 2021-07-07 Original release date: 2021-08-09
Authors: Conibear, A.; Rosengren, K.
Citation: Clark, R.; Phan, T.; Song, A.; Ouellette, A.; Conibear, A.; Rosengren, K.. "A conserved beta-bulge glycine residue facilitates folding and increases stability of the mouse alpha-defensin cryptdin-4" Pept. Sci. 114, e24250-e24250 (2022).
Assembly members:
entity_1, polymer, 32 residues, 3785.636 Da.
Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GLLCYCRKGHCKRGERVRAT
CGIRFLYCCPRR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 98 |
| 15N chemical shifts | 30 |
| 1H chemical shifts | 226 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 32 residues - 3785.636 Da.
| 1 | GLY | LEU | LEU | CYS | TYR | CYS | ARG | LYS | GLY | HIS | ||||
| 2 | CYS | LYS | ARG | GLY | GLU | ARG | VAL | ARG | ALA | THR | ||||
| 3 | CYS | GLY | ILE | ARG | PHE | LEU | TYR | CYS | CYS | PRO | ||||
| 4 | ARG | ARG |
Samples:
sample_1: [Ala19]Crp4 1 mg/mL; DSS 1 mM
sample_2: [Ala19]Crp4 1 mg/mL; DSS 1 mM
sample_conditions_1: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
Software:
CARA, Keller and Wuthrich - chemical shift assignment, peak picking
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation
TopSpin, Bruker Biospin - processing
NMR spectrometers:
- Bruker AVANCE III 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts