BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 15983

Title: NMR SOLUTION STRUCTURE FOR ShK-192: A POTENT KV1.3-SPECIFIC IMMUNOSUPPRESSIVE POLYPEPTIDE   PubMed: 19122005

Authors: Galea, Charles

Citation: Pennington, M.; Beeton, C.; Galea, C.; Smith, B.; Chi, V.; Monaghan, K.; Garcia, A.; Rangaraju, S.; Giuffrida, A.; Plank, D.; Crossley, G.; Nugent, D.; Khaytin, I.; LeFievre, Y.; Peshenko, I.; Dixon, C.; Chauhan, S.; Orzel, A.; Inoue, T.; Hu, X.; Moore, R.; Norton, R.; Chandy, K.. "Engineering a stable and selective peptide blocker of the Kv1.3 channel in T lymphocytes"  Mol. Pharmacol. 75, 762-773 (2009).

Assembly members:
ShK-192, polymer, 37 residues, 4782.929 Da.

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
ShK-192: XRSCIDTIPKSRCTAFQCKH SXKYRLSFCRKTCGTCX

Data sets:
Data typeCount
13C chemical shifts35
15N chemical shifts33
1H chemical shifts268

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1ShK-1921

Entities:

Entity 1, ShK-192 37 residues - 4782.929 Da.

1   PFXARGSERCYSILEASPTHRILEPROLYS
2   SERARGCYSTHRALAPHEGLNCYSLYSHIS
3   SERNLELYSTYRARGLEUSERPHECYSARG
4   LYSTHRCYSGLYTHRCYSNH2

Samples:

sample_1: ShK-192 3.0 mM; H2O 90%; D2O 10%; sodium phosphate 10 mM

sample_2: ShK-192 3.0 mM; D2O 100%; sodium phosphate 10 mM; sodium acetate 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 4.79; pressure: 1 atm; temperature: 293 K

sample_conditions_2: ionic strength: 10 mM; pH: 4.1; pressure: 1 bar; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_2
2D 1H-13C HSQCsample_2isotropicsample_conditions_2
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_2

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - chemical shift assignment, refinement

NMR spectrometers:

  • Bruker DRX 600 MHz
  • Bruker AMX 500 MHz

Related Database Links:

PDB
DBJ BAJ23160
SP E2S063 P29187