BMRB Entry 25031
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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/BMR25031
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Title: NMR structure of spider toxin Mu-TRTX-Hhn2b
Deposition date: 2014-06-19 Original release date: 2015-07-13
Authors: Klint, Julie; Chin, Yanni; Mobli, Mehdi
Citation: Klint, Julie; Chin, Yanni; King, Glenn; Mobli, Mehdi. "Rational engineering defines a molecular switch that is essential for activity of spider-venom peptides against the analgesics target NaV1.7" Not known ., .-..
Assembly members:
entity, polymer, 34 residues, 3691.338 Da.
Natural source: Common Name: Chinese bird spider Taxonomy ID: 209901 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Haplopelma hainanum
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: AECKGFGKSCVPGKNECCSG
YACNSRDKWCKVLL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 140 |
| 15N chemical shifts | 35 |
| 1H chemical shifts | 217 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Hhn2b | 1 |
Entities:
Entity 1, Hhn2b 34 residues - 3691.338 Da.
| 1 | ALA | GLU | CYS | LYS | GLY | PHE | GLY | LYS | SER | CYS | ||||
| 2 | VAL | PRO | GLY | LYS | ASN | GLU | CYS | CYS | SER | GLY | ||||
| 3 | TYR | ALA | CYS | ASN | SER | ARG | ASP | LYS | TRP | CYS | ||||
| 4 | LYS | VAL | LEU | LEU |
Samples:
13C-15N_Hhn2b: Hhn2b, [U-99% 13C; U-99% 15N], 300 mM; sodium acetate 20 mM; D2O 5%; H2O 95%
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 | 13C-15N_Hhn2b | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | 13C-15N_Hhn2b | isotropic | sample_conditions_1 |
| 3D HNCACB | 13C-15N_Hhn2b | isotropic | sample_conditions_1 |
| 3D HNCO | 13C-15N_Hhn2b | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | 13C-15N_Hhn2b | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | 13C-15N_Hhn2b | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | 13C-15N_Hhn2b | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | 13C-15N_Hhn2b | isotropic | sample_conditions_1 |
| 4D HCC(CO)NH | 13C-15N_Hhn2b | isotropic | sample_conditions_1 |
Software:
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
CcpNmr_Analysis v2.2, CCPN - chemical shift assignment
TOPSPIN v3.2, Bruker Biospin - collection, processing
NMR spectrometers:
- Bruker Avance 900 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts