BMRB Entry 25223
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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/BMR25223
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Title: mu-SLPTX3-Ssm6a
Deposition date: 2014-09-13 Original release date: 2015-06-22
Authors: Undheim, Eivind; King, Glenn; Mobli, Mehdi
Citation: Undheim, Eivind; Grimm, Lena; Low, Chek-Fong; Morgenstern, David; Herzig, Volker; Zobel-Thropp, Pamela; Pineda, Sandy; Habib, Rosaline; Dziemborowicz, Slawomir; Fry, Bryan; Nicholson, Graham; Binford, Greta; Mobli, Mehdi; King, Glenn. "Weaponization of a hormone: convergent recruitment of hyperglycemic hormone into the venom of arthropod predators" Not known ., .-..
Assembly members:
entity, polymer, 46 residues, 5333.025 Da.
Natural source: Common Name: Chinese red-headed centipede Taxonomy ID: 251420 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Scolopendra mutilans
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: ADNKCENSLRREIACGQCRD
KVKTDGYFYECCTSDSTFKK
CQDLLH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 188 |
| 15N chemical shifts | 49 |
| 1H chemical shifts | 300 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 46 residues - 5333.025 Da.
| 1 | ALA | ASP | ASN | LYS | CYS | GLU | ASN | SER | LEU | ARG | ||||
| 2 | ARG | GLU | ILE | ALA | CYS | GLY | GLN | CYS | ARG | ASP | ||||
| 3 | LYS | VAL | LYS | THR | ASP | GLY | TYR | PHE | TYR | GLU | ||||
| 4 | CYS | CYS | THR | SER | ASP | SER | THR | PHE | LYS | LYS | ||||
| 5 | CYS | GLN | ASP | LEU | LEU | HIS |
Samples:
sample_1: mu-SLPTX3-Ssm6a, [U-13C; U-15N], 400 uM; ammonium acetate 20 mM; D2O, [U-99% 2H], 5%
sample_2: mu-SLPTX3-Ssm6a 300 uM; ammonium acetate 20 mM; D2O, [U-99% 2H], 5%
sample_conditions_1: 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 HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
XEASY, Bartels et al. - chemical shift assignment, peak picking
Analysis, CCPN - chemical shift assignment, peak picking
TALOS, Cornilescu, Delaglio and Bax - chemical shift calculation, geometry optimization
CYANA, Guntert, Mumenthaler and Wuthrich - data analysis, geometry optimization, structure solution
TOPSPIN, Bruker Biospin - collection, processing
Rowland_NMR_Toolkit, University of Connecticut - 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