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 5301

Title: Principles of Mucin Architecture: Structural Studies on Synthetic Glycopeptides Bearing Clustered Mono-,Di, Tri-, and Hexasacchraride Glycodomains   PubMed: 12175243

Authors: Coltart, D.; Royyuru, A.; Williams, L.; Glunz, P.; Sames, D.; Kuduk, S.; Schwarz, J.; Chen, X.-T.; Danishefsky, S.; Live, D.

Citation: Coltart, D.; Royyuru, A.; Williams, L.; Glunz, P.; Sames, D.; Kuduk, S.; Schwarz, J.; Chen, X.-T.; Danishefsky, S.; Live, D.. "Principles of Mucin Architecture: Structural Studies on Synthetic Glycopeptides Bearing Clustered Mono-,Di, Tri-, and Hexasacchraride Glycodomains"  J. Am. Chem. Soc. 124, 9833-9844 (2002).

Assembly members:
Leukosialin (CD43) fragment, polymer, 6 residues, Formula weight is not available
A2G, non-polymer, 221.208 Da.

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
Leukosialin (CD43) fragment: XSTTAV

Data sets:
Data typeCount
13C chemical shifts14
1H chemical shifts30

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Leukosialin (CD43) fragment1
2N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, 12
3N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, 22
4N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, 32

Entities:

Entity 1, Leukosialin (CD43) fragment 6 residues - Formula weight is not available

1   ACESERTHRTHRALAVAL

Entity 2, N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, 1 - C8 H15 N O6 - 221.208 Da.

1   A2G

Samples:

sample_1: Leukosialin (CD43) fragment 10 mM; N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE 30 mM; H2O 90%; D2O 10%

sample_cond_1: pH: 4.5; pressure: 1 atm; temperature: 291 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYsample_1not availablesample_cond_1
3D TOCSY-NOESYsample_1not availablesample_cond_1

Software:

VNMR v6.1 - collection, data analysis

NMRPipe v2.1 - data analysis

X-PLOR v98 - refinement

NMR spectrometers:

  • Varian INOVA 800 MHz

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