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2MLM

Solution structure of sortase A from S. aureus in complex with benzo[d]isothiazol-3-one based inhibitor

Summary for 2MLM
Entry DOI10.2210/pdb2mlm/pdb
NMR InformationBMRB: 19826
DescriptorSortase family protein, N-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide (2 entities in total)
Functional Keywordshydrolase/hydrolase inhibitor, hydrolase-hydrolase inhibitor complex
Biological sourceStaphylococcus aureus
Total number of polymer chains1
Total formula weight17169.53
Authors
Jaudzems, K.,Zhulenkovs, D.,Leonchiks, A. (deposition date: 2014-03-03, release date: 2014-11-19, Last modification date: 2018-06-27)
Primary citationZhulenkovs, D.,Rudevica, Z.,Jaudzems, K.,Turks, M.,Leonchiks, A.
Discovery and structure-activity relationship studies of irreversible benzisothiazolinone-based inhibitors against Staphylococcus aureus sortase A transpeptidase.
Bioorg.Med.Chem., 22:5988-6003, 2014
Cited by
PubMed: 25282649
DOI: 10.1016/j.bmc.2014.09.011
PDB entries with the same primary citation
Experimental method
SOLUTION NMR
Structure validation

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