BMRB Entry 30525
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30525
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Title: Solution NMR Structure of Engineered Cystine Knot Protein 2.5F
Deposition date: 2018-09-29 Original release date: 2019-09-24
Authors: Cochran, F.; Cochran, J.
Citation: Cochran, F.; Cochran, J.. "Solution NMR Structure of Engineered Cystine Knot Protein 2.5F" To be published ., .-..
Assembly members:
entity_1, polymer, 33 residues, 3297.683 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):
entity_1: GCPRPRGDNPPLTCSQDSDC
LAGCVCGPNGFCG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 116 |
| 15N chemical shifts | 30 |
| 1H chemical shifts | 183 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 33 residues - 3297.683 Da.
| 1 | GLY | CYS | PRO | ARG | PRO | ARG | GLY | ASP | ASN | PRO | ||||
| 2 | PRO | LEU | THR | CYS | SER | GLN | ASP | SER | ASP | CYS | ||||
| 3 | LEU | ALA | GLY | CYS | VAL | CYS | GLY | PRO | ASN | GLY | ||||
| 4 | PHE | CYS | GLY |
Samples:
sample_1: 2.5F, [U-13C; U-15N], 400 uM
sample_conditions_1: ionic strength: 50 mM; pH: 6.0; pressure: 1 atm; temperature: 288 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 C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | 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 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| GHNCO_LRA | sample_1 | isotropic | sample_conditions_1 |
Software:
YASARA, YASARA Biosciences GmbH - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
SPARKY, Goddard - chemical shift assignment, peak picking
NMR spectrometers:
- Varian VNMRS 800 MHz
- Varian VNS 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts