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Target
Trans-sialidase [3-643]
Ligand
BDBM217357
Substrate
n/a
Meas. Tech.
Diffusion Ordered Spectroscopy (DOSY)
Temperature
284.15±n/a K
Kd
4.56e+5± 2e+3 nM
Comments
extracted
Citation
 Oliveira, IA; Gonçalves, AS; Neves, JL; von Itzstein, M; Todeschini, AR Evidence of ternary complex formation in Trypanosoma cruzi trans-sialidase catalysis. J Biol Chem 289:423-36 (2014) [PubMed]  Article 
Target
Name:
Trans-sialidase [3-643]
Synonyms:
trans-Sialidase (TS)
Type:
Enzyme
Mol. Mass.:
70309.23
Organism:
Trypanosoma cruzi
Description:
Q9BHJ5 with +2 shift
Residue:
641
Sequence:
APGSSRVELFKRKNSTVPFEDKAGKVTERVVHSFRLPALVNVDGVMVAIADARYDTSNDNSLIDTVAKYSVDDGETWETQIAIKNSRVSSVSRVVDPTVIVKGNKLYVLVGSYYSSRSYWSSHGDARDWDILLAVGEVTKSIAGGKITASIKWGSPVSLKKFFPAEMEGMHTNQFLGGAGVAIVASNGNLVYPVQVTNKRKQVFSKIFYSEDDGKTWKFGKGRSDFGCSEPVALEWEGKLIINTRVDWKRRLVYESSDMGNTWVEAVGTLSRVWGPSPKSDHPGSQSSFTAVTIEGMRVMLFTHPLNFKGRWLRDRLNLWLTDNQRIYNVGQVSIGDENSAYSSVLYKDDKLYCLHEINTDEVYSLVFARLVGELRIIKSVLRSWKNWDSHLSSICTPADPAASSSESGCGPAVTTVGLVGFLSGNASQNVWEDAYRCVNASTANAERVRNGLKFAGVGGGALWPVSQQGQNQRYRFANHAFTLVASVTIHEAPRAASPLLGASLDSSGGKKLLGLSYDEKHQWQPIYGSTPVTPTGSWETGKRYHVVLTVANKIGSVYIDGELLEGSGQTVVPDGRTPDISHFYVGGYGRSDMPTISHVTVNNVLLYNRQLNTEEIRTLFLSQDLIGTEAHMDSSSDTSA
  
Inhibitor
Name:
BDBM217357
Synonyms:
NeuSGal | methyl-S-(5-acetamide-3,5-dideoxy-D-glycero-β-D-galacto-2-nonulopyranosilate-(2,3)-β-galactopyranosidic acid
Type:
Small organic molecule
Emp. Form.:
C18H30NO13S
Mol. Mass.:
500.495
SMILES:
COC1OC(CO)C(O)C(SC2(CC(O)C(NC(C)=O)C(O2)[C@H](O)[C@H](O)CO)C([O-])=O)C1O |r|
Structure:
Search PDB for entries with ligand similarity: