BMRB Entry 36136
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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/BMR36136
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Title: Designed protein dRafX6
Deposition date: 2017-12-05 Original release date: 2018-12-03
Authors: Liu, R.
Citation: Liu, R.. "Designed protein dRafX6" . ., .-..
Assembly members:
dRafX6, polymer, 79 residues, 8763.368 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: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
dRafX6: MADRTIEVELPNKQRTVINV
RPGLTLKEALKKALKVRGID
PNKVQVYLLLSGDDGAEQPL
SLNHPAERLIGKKLKVVPL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 261 |
| 15N chemical shifts | 69 |
| 1H chemical shifts | 550 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 79 residues - 8763.368 Da.
| 1 | MET | ALA | ASP | ARG | THR | ILE | GLU | VAL | GLU | LEU | ||||
| 2 | PRO | ASN | LYS | GLN | ARG | THR | VAL | ILE | ASN | VAL | ||||
| 3 | ARG | PRO | GLY | LEU | THR | LEU | LYS | GLU | ALA | LEU | ||||
| 4 | LYS | LYS | ALA | LEU | LYS | VAL | ARG | GLY | ILE | ASP | ||||
| 5 | PRO | ASN | LYS | VAL | GLN | VAL | TYR | LEU | LEU | LEU | ||||
| 6 | SER | GLY | ASP | ASP | GLY | ALA | GLU | GLN | PRO | LEU | ||||
| 7 | SER | LEU | ASN | HIS | PRO | ALA | GLU | ARG | LEU | ILE | ||||
| 8 | GLY | LYS | LYS | LEU | LYS | VAL | VAL | PRO | LEU |
Samples:
sample_1: dRafX6, [U-13C; U-15N], 0.5 mM; EDTA 0.01 mM; sodium phosphate 0.02 mM; H2O 90%; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 0.05 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert P., Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
SPARKY, Goddard - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker DMX 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts