BMRB Entry 19748

Title:
Solution structure of Lactodifucotetraose (LDFT) beta anomer
Deposition date:
2014-01-22
Original release date:
2016-06-29
Authors:
Schubert, Mario; Allain, Frederic
Citation:

Citation: Aeschbacher, Thomas; Zierke, Mirko; Smiesko, Martin; Allain, Frederic; Schubert, Mario. "Fucosylated glycans"  .

Assembly members:

Assembly members:
SUGAR_(4-MER), polymer, 4 residues, 634.584 Da.

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   Host organism: Carbosynth (vendor)

Entity Sequences (FASTA):

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

Data sets:
Data typeCount
13C chemical shifts24
1H chemical shifts30

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

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

Entities:

Entity 1, SUGAR (4-MER) 4 residues - 634.584 Da.

The polymer type "GLYCAN" would fit much better. This entry consists of D and L sugars. the molecule is: FUC-alpha1,2-GAL-beta1,4-[FUC-alpha1,3]-BGC-beta-OH The BGC is covalently linked to Fuc and Gal. The GAL is covalently linked to Fuc and BGC. The two Fuc units are covalently linked either to BGC or GAL.

1   BGCGALFUCFUC

Samples:

sample_1: SUGAR (4-MER) 3.2 mM

sample_conditions_1: ionic strength: 0 M; pH: 7; pressure: 1 atm; temperature: 275 K

Experiments:

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

Software:

TOPSPIN, Bruker Biospin - collection

SPARKY, Goddard - chemical shift assignment, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

NMR spectrometers:

  • Bruker Avance 900 MHz