BMRB Entry 19759

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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/BMR19759
MolProbity Validation Chart

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Title:
Tetra-O-GalNAc glycosylated mucin sequence from alpha dystroglycan mucin domain
Deposition date:
2014-02-02
Original release date:
2015-02-02
Authors:
Live, David; Borgert, Andrew
Citation:

Citation: Borgert, Andrew; Foley, Lachele; Live, David. "Differential Conformational Effects of O-GalNAc and O-Man Glycan Protein Modifications: Implications for the role of O-GalNAc glycans in the Mucin-Like Region of alpha-Dystroglycan"  to be published ., .-..

Assembly members:

Assembly members:
aDG_Mucin_Domain_Peptide, polymer, 11 residues, 936.116 Da.
SUGAR_(4-MER), polymer, 4 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
aDG_Mucin_Domain_Peptide: XPPTTTTKKPX
SUGAR_(4-MER): XXXX

Data sets:
Data typeCount
13C chemical shifts62
15N chemical shifts10
1H chemical shifts109

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1aDG_Mucin_Domain_Peptide1
2SUGAR (4-MER)2

Entities:

Entity 1, aDG_Mucin_Domain_Peptide 11 residues - 936.116 Da.

All T residues in this molecule are modified with alpha-linked N-acetylgalactosamine

1   ACEPROPROTHRTHRTHRTHRLYSLYSPRO
2   NH2

Entity 2, SUGAR (4-MER) 4 residues - Formula weight is not available

1   A2GA2GA2GA2G

Samples:

sample_d2o: aDG_Mucin_Domain_Peptide2 – 10 mM; D2O 100%

sample_h2o: aDG_Mucin_Domain_Peptide2 – 10 mM; D2O 5%; H2O 95%

sample_conditions_all: ionic strength: 0 M; pH: 4.5; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_d2oisotropicsample_conditions_all
3D TOCSY-NOESYsample_h2oisotropicsample_conditions_all
2D 1H-15N HSQCsample_h2oisotropicsample_conditions_all
2D 1H-13C HSQCsample_h2oisotropicsample_conditions_all
2D 1H-1H TOCSYsample_h2oisotropicsample_conditions_all
2D 1H-1H COSYsample_d2oisotropicsample_conditions_all
2D 1H-13C HMBCsample_h2oisotropicsample_conditions_all

Software:

No software information available

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz
  • Varian INOVA 900 MHz

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