4XJA
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 5-acetamido-2,3-difluoro-3-hydroxy-6-[1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Summary for 4XJA
Entry DOI | 10.2210/pdb4xja/pdb |
Descriptor | Sialidase B, (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, PHOSPHATE ION, ... (6 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 | 74393.72 |
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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