BMRB Entry 21053
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR21053
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Title: Solution structure of fucosylated LacDiNAc (LDNF) PubMed: 28654715
Deposition date: 2014-01-24 Original release date: 2017-08-30
Authors: Schubert, Mario; Allain, Frederic; Zierke, Mirko
Citation: Aeschbacher, Thomas; Zierke, Mirko; Smiesko, Martin; Collot, Mayeul; Mallet, Jean-Maurice; Ernst, Beat; Allain, Frederic H-T; Schubert, Mario. "A Secondary Structural Element in a Wide Range of Fucosylated Glycoepitopes." Chemistry 23, 11598-11610 (2017).
Assembly members:
SUGAR_(3-MER), polymer, 4 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: 6183 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Schistosoma mansoni
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
SUGAR_(3-MER): XXXX
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 22 |
1H chemical shifts | 54 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | LDNF | 1 |
Entities:
Entity 1, LDNF 4 residues - Formula weight is not available
1 | SP | MAG | A2G | FUC |
Samples:
sample_1: SUGAR (3-MER) 2.2 mM; D2O 100%
sample_2: SUGAR (3-MER) 2.2 mM; H2O 95%; D2O 5%
sample_conditions_1: pH: 7; temperature: 275 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection, processing
SPARKY, Goddard - chemical shift assignment, data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement
NMR spectrometers:
- Bruker Avance 900 MHz