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
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
Solution structure of ShK-like immunomodulatory peptide from Brugia malayi (filarial worm)
Deposition date:
2013-08-22
Original release date:
2014-06-30
Authors:
Chhabra, Sandeep; Swarbrick, James; Pennington, Michael; Chang, Shih Chieh; Norton, Raymond
Citation:

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. ., .-..
PubMed: 24891519

Assembly members:

Assembly members:
ShK-like_peptide, polymer, 37 residues, 4184.891 Da.

Natural source:

Natural source:   Common Name: nematodes   Taxonomy ID: 6279   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Brugia malayi

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ShK-like_peptide: VCEDLNAHCEMWQQLGHCQY SPKYMGHYCKKACGLCX

Data sets:
Data typeCount
13C chemical shifts118
15N chemical shifts40
1H chemical shifts214

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 37 residues - 4184.891 Da.

1   VALCYSGLUASPLEUASNALAHISCYSGLU
2   METTRPGLNGLNLEUGLYHISCYSGLNTYR
3   SERPROLYSTYRMETGLYHISTYRCYSLYS
4   LYSALACYSGLYLEUCYSNH2

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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_2isotropicsample_conditions_2
2D 1H-13C HSQCsample_1isotropicsample_conditions_2
2D 1H-1H NOESYsample_2isotropicsample_conditions_2
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_2
2D DQF-COSYsample_1isotropicsample_conditions_2

Software:

CCPNMR, CCPN - chemical shift assignment

TOPSPIN v3.2, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 600 MHz

Related Database Links:

PDB
EMBL CDP92843 CDP92844
GB EJW88636
REF XP_001897750

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks