BMRB Entry 30160
Click here to enlarge.
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/BMR30160
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Solution structure of a triple mutant of HwTx-IV - a potent blocker of Nav1.7
Deposition date: 2016-08-25 Original release date: 2017-08-31
Authors: Rahnama, S.; Sharma, G.; Mobli, M.
Citation: Rahnama, S.; Sharma, G.; Mobli, M.. "Solution structure of a triple mutant of HwTx-IV - a potent blocker of Nav1.7" To be published ., .-..
Assembly members:
entity_1, polymer, 35 residues, 3999.777 Da.
Natural source: Common Name: Chinese bird spider Taxonomy ID: 29017 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Haplopelma schmidti
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: GCLGIFKACNPSNDQCCKSS
KLVCSRKTRWCKWQI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 153 |
| 15N chemical shifts | 41 |
| 1H chemical shifts | 245 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 35 residues - 3999.777 Da.
| 1 | GLY | CYS | LEU | GLY | ILE | PHE | LYS | ALA | CYS | ASN | ||||
| 2 | PRO | SER | ASN | ASP | GLN | CYS | CYS | LYS | SER | SER | ||||
| 3 | LYS | LEU | VAL | CYS | SER | ARG | LYS | THR | ARG | TRP | ||||
| 4 | CYS | LYS | TRP | GLN | ILE |
Samples:
sample_1: D2O, [U-100% 2H], 5 ± 0.5 %; [m3]-HwTx-IV, [U-99% 13C; U-99% 15N], 400 ± 10 uM; sodium acetate 20 ± 1 mM
sample_conditions_1: ionic strength: 20 mM; pH: 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 HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC - NOE | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC - T2 relaxation | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC - T1 relaxation | sample_1 | isotropic | sample_conditions_1 |
| 4D HC(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
Analysis, CCPN - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - refinement
ROWLAND NMR TOOLKIT v3, JC Hoch, AS Stern; University of Connecticut, Health Centre - processing
TALOS vn, Cornilescu, Delaglio and Bax - data analysis
TOPSPIN, Bruker Biospin - collection
NMR spectrometers:
- Bruker AvanceIII 900 MHz
- Bruker AvanceIII 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts