BMRB Entry 25050
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25050
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Title: Hm-3
Deposition date: 2014-06-27 Original release date: 2014-11-03
Authors: Myshkin, Mikhail; Shenkarev, Zakhar; Paramonov, Alexander; Berkut, Antonina; Grishin, Eugene; Vassilevski, Alexander
Citation: Berkut, Antonina; Myshkin, Mikhail; Peigneur, Steve; Paramonov, Alexander; Lyukmanova, Ekaterina; Tytgat, Jan; Arseniev, Alexander; Grishin, Eugene; Shenkarev, Zakhar; Vassilevski, Alexander. "Structure of membrane-active toxin from crab spider Heriaeus melloteei suggests parallel evolution of sodium channel gating modifiers in Araneomorphae and Mygalomorphae" J. Biol. Chem. ., .-..
Assembly members:
Hm-3, polymer, 35 residues, 3919.718 Da.
Natural source: Common Name: crab spider Taxonomy ID: 504442 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Heriaeus melloteei
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Hm-3: GCIAKNKECAWFSGEWCCGA
LSCKYSIKRNLKICV
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 236 |
| 13C chemical shifts | 88 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | membrane-active toxin | 1 |
Entities:
Entity 1, membrane-active toxin 35 residues - 3919.718 Da.
| 1 | GLY | CYS | ILE | ALA | LYS | ASN | LYS | GLU | CYS | ALA | ||||
| 2 | TRP | PHE | SER | GLY | GLU | TRP | CYS | CYS | GLY | ALA | ||||
| 3 | LEU | SER | CYS | LYS | TYR | SER | ILE | LYS | ARG | ASN | ||||
| 4 | LEU | LYS | ILE | CYS | VAL |
Samples:
hm3_h2o: hm3 0.5 mM; H20 95%; D2O 5%
hm3_d2o: Hm-3 0.5 mM; D2O 100%
sample_conditions_1: temperature: 308 K; pH: 5.2; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | hm3_h2o | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | hm3_h2o | isotropic | sample_conditions_1 |
| 2D DQF-COSY | hm3_d2o | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | hm3_h2o | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | hm3_d2o | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection, data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
CARA, Keller R. - chemical shift assignment, data analysis
NMR spectrometers:
- Bruker Avance 800 MHz