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4XHX

Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin and 2-[(3-Chlorobenzyl)ammonio]ethanesulfonate

Summary for 4XHX
Entry DOI10.2210/pdb4xhx/pdb
DescriptorSialidase B, 2-[(3-chlorobenzyl)amino]ethanesulfonic acid, (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, ... (5 entities in total)
Functional Keywordshydrolase, intramolecular trans-sialidase, glycosidase, drug design, neuraminidase, allosteric inhibitor, serendipitous allosteric sites, crystallization artefacts
Biological sourceStreptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)
Total number of polymer chains1
Total formula weight74297.35
Authors
Brear, P. (deposition date: 2015-01-06, release date: 2016-01-20, Last modification date: 2024-01-10)
Primary citationRogers, G.W.,Brear, P.,Yang, L.,Chen, A.S.,Mitchell, J.B.O.,Taylor, G.L.,Westwood, N.J.
The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published,
Experimental method
X-RAY DIFFRACTION (2.1 Å)
Structure validation

217705

PDB entries from 2024-03-27

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