BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 18538

Title: 1H and 13C NMR of GPVI mimetic

Deposition date: 2012-06-20 Original release date: 2012-12-21

Authors: Gnanagurunathan, Nimalta; Guenin, Erwann; Herve du Penhoat, Catherine

Citation: Gnanagurunathan, Nimalta; Guenin, Erwann; Herve du Penhoat, Catherine. "1H and 13C NMR of GPVI mimetic"  Not known ., .-..

Assembly members:
GPVI_peptide_mimetic, polymer, 23 residues, 2302.8 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):
GPVI_peptide_mimetic: SGSGCGPRFMHGLQLWADEG PCX

Data sets:
Data typeCount
13C chemical shifts57
1H chemical shifts131

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1GPVI peptide mimetic1

Entities:

Entity 1, GPVI peptide mimetic 23 residues - 2302.8 Da.

X is a cysteine residue with the carboxyl hydroxyl group replaced by the NH2 moiety

1   SERGLYSERGLYCYSGLYPROARGPHEMET
2   HISGLYLEUGLNLEUTRPALAASPGLUGLY
3   PROCYSNH2

Samples:

sample_1: GPVI peptide mimetic 3 mM; H2O 93%; D2O, [U-100% 2H], 7%; sodium chloride 50 mM; sodium phosphate 20 mM; sodium azide 5 uM

sample_conditions_1: ionic strength: 70 mM; pH: 5.4; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

DYANA vversion 1.5, Bartels et al., Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Guntert, Guntert, Braun and Wuthrich, Koradi, Billeter and Wuthrich - chemical shift assignment, chemical shift assignment, peak picking, processing, refinement, structure solution

NMR spectrometers:

  • Varian UnityPlus 500 MHz