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
MolProbity Validation Chart

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Title:
Solution structure of ShK-like immunomodulatory peptide from Ancylostoma caninum (hookworm)
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:

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. ., .-..
PubMed: 24891519

Assembly members:

Assembly members:
ShK-like_peptide_Ac, polymer, 51 residues, 5858.490 Da.

Natural source:

Natural source:   Common Name: dog hookworm   Taxonomy ID: 29170   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Ancylostoma caninum

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET32a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ShK-like_peptide_Ac: NDIRTAADMEHCADEKNFDC RRSLRNGDCDNDDKLLEMGY YCPVTCGFCEP

Data sets:
Data typeCount
13C chemical shifts196
15N chemical shifts56
1H chemical shifts309

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1ShK-like immunomodulatory peptide1

Entities:

Entity 1, ShK-like immunomodulatory peptide 51 residues - 5858.490 Da.

1   ASNASPILEARGTHRALAALAASPMETGLU
2   HISCYSALAASPGLULYSASNPHEASPCYS
3   ARGARGSERLEUARGASNGLYASPCYSASP
4   ASNASPASPLYSLEULEUGLUMETGLYTYR
5   TYRCYSPROVALTHRCYSGLYPHECYSGLU
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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_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 HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks