BMRB Entry 25835
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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/BMR25835
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Title: NMR structure of OtTx1a - AMP in DPC micelles
Deposition date: 2015-10-05 Original release date: 2016-09-29
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; Arseniev, Alexander. "NMR structure of OtTx1a - AMP in DPC micelles" .
Assembly members:
entity, polymer, 41 residues, 4832.061 Da.
Natural source: Common Name: spiders Taxonomy ID: 666126 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Oxyopes Takobius
Experimental source: Production method: chemical synthesis Host organism: none Vector: none
Entity Sequences (FASTA):
entity: KFKWGKLFSTAKKLYKKGKK
LSKNKNFKKALKFGKQLAKN
L
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 125 |
| 1H chemical shifts | 319 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 41 residues - 4832.061 Da.
| 1 | LYS | PHE | LYS | TRP | GLY | LYS | LEU | PHE | SER | THR | ||||
| 2 | ALA | LYS | LYS | LEU | TYR | LYS | LYS | GLY | LYS | LYS | ||||
| 3 | LEU | SER | LYS | ASN | LYS | ASN | PHE | LYS | LYS | ALA | ||||
| 4 | LEU | LYS | PHE | GLY | LYS | GLN | LEU | ALA | LYS | ASN | ||||
| 5 | LEU |
Samples:
sample_1: entity 0.6 mM; DPC 60 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 3.3; pressure: 1 atm; temperature: 313 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
Molmol, Koradi, Billeter and Wuthrich - structure solution
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
CARA, Keller and Wuthrich - chemical shift assignment
TALOS, Cornilescu, Delaglio and Bax - angle prediction
TOPSPIN, Bruker Biospin - collection, data analysis, processing
NMR spectrometers:
- Bruker Avance 800 MHz