5F91
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator (N-(5-(azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide)
Summary for 5F91
Entry DOI | 10.2210/pdb5f91/pdb |
Related | 5F92 |
Descriptor | Fumarate hydratase class II, ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide, CHLORIDE ION, ... (5 entities in total) |
Functional Keywords | allostery, inhibitor, hydratase, metabolism, tuberculosis, modulation, lyase-lyase inhibitor complex, lyase/lyase inhibitor |
Biological source | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) |
Cellular location | Cytoplasm : P9WN92 |
Total number of polymer chains | 4 |
Total formula weight | 211641.75 |
Authors | Kasbekar, M.,Fischer, G.,Mott, B.T.,Yasgar, A.,Hyvonen, M.,Boshoff, H.I.,Abell, C.,Barry, C.E.,Thomas, C.J. (deposition date: 2015-12-09, release date: 2016-06-22, Last modification date: 2023-09-27) |
Primary citation | Kasbekar, M.,Fischer, G.,Mott, B.T.,Yasgar, A.,Hyvonen, M.,Boshoff, H.I.,Abell, C.,Barry, C.E.,Thomas, C.J. Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site. Proc.Natl.Acad.Sci.USA, 113:7503-7508, 2016 Cited by PubMed: 27325754DOI: 10.1073/pnas.1600630113 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.998 Å) |
Structure validation
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