BMRB Entry 19460
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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/BMR19460
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Title: Solution structure of ShK-like immunomodulatory peptide from Ancylostoma caninum (hookworm) PubMed: 24891519
Deposition date: 2013-08-28 Original release date: 2014-06-30
Authors: Chhabra, Sandeep; Swarbrick, James; Mohanty, Biswaranjan; Chang, Shih Chieh; Chandy, George; Pennington, Michael; Norton, Raymond
Citation: chhabra, sandeep; Chang, Shih Chieh; Nguyen, Hai; Huq, Redwan; Tanner, Mark; Londono, Luz; Estrada, Rosendo; Dhawan, Vikas; Chauhan, Satendra; Upadhyay, Sanjeev; Figueros, Mariel; Mohanty, Biswaranjan; Swarbrick, James; Wulff, Heike; Iadonato, Shawn; Gutman, George; Beeton, Christine; Pennington, Michael; Norton, Raymond; Chandy, George. "Kv1.3 channel-blocking immunomodulatory peptides from parasitic worms: implications for autoimmune diseases" Faseb J. ., .-..
Assembly members:
ShK-like_peptide_Ac, polymer, 51 residues, 5858.490 Da.
Natural source: Common Name: dog hookworm Taxonomy ID: 29170 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Ancylostoma caninum
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
ShK-like_peptide_Ac: NDIRTAADMEHCADEKNFDC
RRSLRNGDCDNDDKLLEMGY
YCPVTCGFCEP
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 196 |
| 15N chemical shifts | 56 |
| 1H chemical shifts | 309 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ShK-like immunomodulatory peptide | 1 |
Entities:
Entity 1, ShK-like immunomodulatory peptide 51 residues - 5858.490 Da.
| 1 | ASN | ASP | ILE | ARG | THR | ALA | ALA | ASP | MET | GLU | ||||
| 2 | HIS | CYS | ALA | ASP | GLU | LYS | ASN | PHE | ASP | CYS | ||||
| 3 | ARG | ARG | SER | LEU | ARG | ASN | GLY | ASP | CYS | ASP | ||||
| 4 | ASN | ASP | ASP | LYS | LEU | LEU | GLU | MET | GLY | TYR | ||||
| 5 | TYR | CYS | PRO | VAL | THR | CYS | GLY | PHE | CYS | GLU | ||||
| 6 | PRO |
Samples:
sample_1: ShK-like_peptide_Ac, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 10 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 5.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | 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 HNCO | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
XEASY, Bartels et al. - chemical shift assignment
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
CCPNMR, CCPN - data analysis
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Related Database Links:
| PDB |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
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SPARKY: Backbone
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