4XJ9
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 5.0 in 50mM Sodium Acetate with DMSO as the cryoprotectant
Summary for 4XJ9
Entry DOI | 10.2210/pdb4xj9/pdb |
Descriptor | Sialidase B, (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, ... (4 entities in total) |
Functional Keywords | hydrolase, intramolecular trans-sialidase, glycosidase, drug design, neuraminidase, allosteric inhibitor, serendipitous allosteric sites, crystallization artefacts |
Biological source | Streptococcus pneumoniae TIGR4 |
Total number of polymer chains | 1 |
Total formula weight | 73969.50 |
Authors | Brear, P. (deposition date: 2015-01-08, release date: 2016-01-20, Last modification date: 2024-01-10) |
Primary citation | Rogers, 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 (1.98 Å) |
Structure validation
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