BMRB Entry 31062
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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/BMR31062
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NMR-STAR v3 text file.
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Title: Solution structure of mu-theraphotoxin Cg4a from Chinese tarantula Chilobrachys jingzhao
Deposition date: 2022-12-01 Original release date: 2023-10-31
Authors: Sharma, G.; Jia, X.; Chin, Y.; Mobli, M.
Citation: Sharma, G.; Deuis, J.; Rahnama, S.; Jia, X.; Chin, Y.; Undheim, E.; Vetter, I.; Mobli, M.. "Solution structure of mu-theraphotoxin Cg4a from Chinese tarantula Chilobrachys jingzhao" .
Assembly members:
entity_1, polymer, 34 residues, 3942.549 Da.
Natural source: Common Name: Chilobrachys guangxiensis Taxonomy ID: 278060 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Chilobrachys guangxiensis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: SCKVPFNECKYGADECCKGY
VCSKRDGWCKYHIN
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 148 |
| 15N chemical shifts | 35 |
| 1H chemical shifts | 220 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 34 residues - 3942.549 Da.
| 1 | SER | CYS | LYS | VAL | PRO | PHE | ASN | GLU | CYS | LYS | ||||
| 2 | TYR | GLY | ALA | ASP | GLU | CYS | CYS | LYS | GLY | TYR | ||||
| 3 | VAL | CYS | SER | LYS | ARG | ASP | GLY | TRP | CYS | LYS | ||||
| 4 | TYR | HIS | ILE | ASN |
Samples:
sample_1: Mu-theraphotoxin Cg4a, [U-100% 13C; U-100% 15N], 340 uM; sodium acetate 20 mM; D2O, [U-2H], 5%
sample_conditions_1: ionic strength: 20 mM; pH: 5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | 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 |
| 3D 1H-15N NOESY | 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 CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
CcpNmr Analysis, CCPN - chemical shift assignment, peak picking
TopSpin, Bruker Biospin - collection, processing
TALOS-N, TALOS - geometry optimization
Rowland NMR Toolkit (RNMRTK), http://rnmrtk.uchc.edu/rnmrtk/RNMRTK. html - processing
NMR spectrometers:
- Bruker AVANCE NEO 900 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts