BMRB Entry 19450
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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/BMR19450
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Title: Solution structure of ShK-like immunomodulatory peptide from Brugia malayi (filarial worm) PubMed: 24891519
Deposition date: 2013-08-22 Original release date: 2014-06-30
Authors: Chhabra, Sandeep; Swarbrick, James; Pennington, Michael; Chang, Shih Chieh; Norton, Raymond
Citation: Chhabra, Sandeep; Chang, Shih Chieh; Nguyen, Hai; Londono, Luz; Huq, Redwan; Tanner, Mark; Estrada, Rosendo; Dhawan, Vikas; Chauhan, Satendra; Upadhyay, Sanjeev; Swarbrick, James; Mohanty, Biswaranjan; Wulff, Heike; Iadonato, Shawn; Gutman, George; Beeton, Christine; Pennington, Michael; Chandy, George; Norton, Raymond. "Kv1.3 channel-blocking immunomodulatory peptides from parasitic worms: implications for autoimmune diseases" FASEB J. ., .-..
Assembly members:
ShK-like_peptide, polymer, 37 residues, 4184.891 Da.
Natural source: Common Name: nematodes Taxonomy ID: 6279 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Brugia malayi
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
ShK-like_peptide: VCEDLNAHCEMWQQLGHCQY
SPKYMGHYCKKACGLCX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 118 |
| 15N chemical shifts | 40 |
| 1H chemical shifts | 214 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ShK-like immunomodulatory peptide | 1 |
Entities:
Entity 1, ShK-like immunomodulatory peptide 37 residues - 4184.891 Da.
| 1 | VAL | CYS | GLU | ASP | LEU | ASN | ALA | HIS | CYS | GLU | ||||
| 2 | MET | TRP | GLN | GLN | LEU | GLY | HIS | CYS | GLN | TYR | ||||
| 3 | SER | PRO | LYS | TYR | MET | GLY | HIS | TYR | CYS | LYS | ||||
| 4 | LYS | ALA | CYS | GLY | LEU | CYS | NH2 |
Samples:
sample_1: ShK-like_peptide 0.8 mM; sodium phosphate 10 mM; D2O 100%
sample_2: ShK-like_peptide 0.8 mM; sodium phosphate 10 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 5.8; pressure: 1 atm; temperature: 293 K
sample_conditions_2: pH: 4.8; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_2 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_2 |
Software:
CCPNMR, CCPN - chemical shift assignment
TOPSPIN v3.2, Bruker Biospin - collection
NMR spectrometers:
- Bruker Avance 800 MHz
- 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