BMRB Entry 30312
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30312
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Title: Solution structure of the de novo mini protein gHEEE_02
Deposition date: 2017-06-23 Original release date: 2018-07-03
Authors: Szyperski, T.; Pulavarti, S.; Shaw, E.; Bahl, C.; Garry, B.; Baker, D.
Citation: Szyperski, T.; Pulavarti, S.; Shaw, E.; Bahl, C.; Garry, B.; Baker, D.. "Solution structure of the de novo mini protein gHEEE_02" . ., .-..
Assembly members:
De novo mini protein gHEEE_02, polymer, 41 residues, 4900.680 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):
De novo mini protein gHEEE_02: SQETRKKCTEMKKKFKNCEV
RCDESNHCVEVRCSDTKYTL
C
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 181 |
| 15N chemical shifts | 46 |
| 1H chemical shifts | 284 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 41 residues - 4900.680 Da.
| 1 | SER | GLN | GLU | THR | ARG | LYS | LYS | CYS | THR | GLU | ||||
| 2 | MET | LYS | LYS | LYS | PHE | LYS | ASN | CYS | GLU | VAL | ||||
| 3 | ARG | CYS | ASP | GLU | SER | ASN | HIS | CYS | VAL | GLU | ||||
| 4 | VAL | ARG | CYS | SER | ASP | THR | LYS | TYR | THR | LEU | ||||
| 5 | CYS |
Samples:
sample_1: DSS 5 uM; d20 10%; gHEEE_02, [U-13C;15N], 1 mM; sodium azide 0.02%
sample_conditions_1: ionic strength: 50 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 15N/13Caliphatic/13Caromatic-edited [1H,1H]-NOESY | sample_1 | isotropic | sample_conditions_1 |
| GFT 4,3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
Software:
CARA v1.8, Keller and Wuthrich - chemical shift assignment, chemical shift calculation
CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA v3.97, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
PROSA v6.4, Guntert - processing
PSVS v1.5, Bhattacharya and Montelione - data analysis
VNMR, Varian - collection
XEASY, Bartels et al. - data analysis
NMR spectrometers:
- Varian INOVA 750 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts