BMRB Entry 30532
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30532
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Title: Solution NMR Structure of DANCER3-F34A, a rigid and natively folded single mutant of the dynamic protein DANCER-3
Deposition date: 2018-10-31 Original release date: 2019-08-16
Authors: Damry, A.; Mayer, M.; Goto, N.; Chica, R.
Citation: Damry, A.; Broom, A.; Mayer, M.; Goto, N.; Chica, R.. "Structural determinants of conformational exchange in GB1 DANCERs" To be published ., .-..
Assembly members:
entity_1, polymer, 64 residues, 7230.964 Da.
Natural source: Common Name: Streptococcus sp. Taxonomy ID: 1320 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus Streptococcus sp.
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: MHHHHHHGMTFKLIINGKTL
KGETTTEAVDAATAEKVFKQ
YANDNGLDGEWTYDDATKTF
TITE
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 242 |
| 15N chemical shifts | 62 |
| 1H chemical shifts | 379 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 64 residues - 7230.964 Da.
| 1 | MET | HIS | HIS | HIS | HIS | HIS | HIS | GLY | MET | THR | ||||
| 2 | PHE | LYS | LEU | ILE | ILE | ASN | GLY | LYS | THR | LEU | ||||
| 3 | LYS | GLY | GLU | THR | THR | THR | GLU | ALA | VAL | ASP | ||||
| 4 | ALA | ALA | THR | ALA | GLU | LYS | VAL | PHE | LYS | GLN | ||||
| 5 | TYR | ALA | ASN | ASP | ASN | GLY | LEU | ASP | GLY | GLU | ||||
| 6 | TRP | THR | TYR | ASP | ASP | ALA | THR | LYS | THR | PHE | ||||
| 7 | THR | ILE | THR | GLU |
Samples:
sample_1: protein (GB1), [U-98% 15N], 1.0 mM; sodium phosphate 10 mM
sample_2: protein (GB1), [U-99% 13C; U-98% 15N], 1.0 mM; sodium phosphate 10 mM
sample_3: protein (GB1), [U-99% 13C; U-98% 15N], 1.0 mM; sodium phosphate 10 mM
sample_conditions_1: ionic strength: 10 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_3 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_3 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_3 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_3 | isotropic | sample_conditions_1 |
| 3D CCH-TOCSY | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_3 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking
TOPSPIN, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker AVANCE III 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts