BMRB Entry 25836
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25836
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Title: NMR structure of OtTx1a - ICK
Deposition date: 2015-10-05 Original release date: 2016-10-13
Authors: Nadezhdin, Kirill; Romanovskaya, Daria; Sachkova, Maria; Vassilevski, Alexander; Grishin, Evgeny; Kovalchuk, Sergey; Arseniev, Alexander
Citation: Nadezhdin, Kirill; Romanovskaya, Daria; Sachkova, Maria; Vassilevski, Alexander; Grishin, Evgeny; Kovalchuk, Sergey; Kovalchuk, Evgeny. "NMR structure of OtTx1a - AMP in DPC micelles" Not known ., .-..
Assembly members:
entity, polymer, 59 residues, 6373.258 Da.
Natural source: Common Name: spiders Taxonomy ID: 666126 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Oxyopes Takobius
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: GTPVGNNKCWAIGTTCSDDC
DCCPEHHCHCPAGKWLPGLF
RCTCQVTESDKVNKCPPAE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 130 |
| 15N chemical shifts | 55 |
| 1H chemical shifts | 290 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 59 residues - 6373.258 Da.
| 1 | GLY | THR | PRO | VAL | GLY | ASN | ASN | LYS | CYS | TRP | ||||
| 2 | ALA | ILE | GLY | THR | THR | CYS | SER | ASP | ASP | CYS | ||||
| 3 | ASP | CYS | CYS | PRO | GLU | HIS | HIS | CYS | HIS | CYS | ||||
| 4 | PRO | ALA | GLY | LYS | TRP | LEU | PRO | GLY | LEU | PHE | ||||
| 5 | ARG | CYS | THR | CYS | GLN | VAL | THR | GLU | SER | ASP | ||||
| 6 | LYS | VAL | ASN | LYS | CYS | PRO | PRO | ALA | GLU |
Samples:
sample_1: entity, [U-100% 15N], 0.6 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 6; pressure: 1 atm; temperature: 313 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHB | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
CARA, Keller and Wuthrich - chemical shift assignment
Molmol, Koradi, Billeter and Wuthrich - structure solution
TOPSPIN, Bruker Biospin - collection, data analysis, processing
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts