6S7Z
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
Summary for 6S7Z
Entry DOI | 10.2210/pdb6s7z/pdb |
Related | 6S43 6S7K 6S7S 6S7U 6S7W 6S88 |
Descriptor | Fumarate hydratase class II, ~{N}-[5-(3,4-dihydro-1~{H}-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide, MAGNESIUM ION, ... (5 entities in total) |
Functional Keywords | fumarate hydratase, fumarase, lyase |
Biological source | Mycobacterium tuberculosis |
Total number of polymer chains | 4 |
Total formula weight | 201846.67 |
Authors | Whitehouse, A.J.,Libardo, M.D.,Kasbekar, M.,Brear, P.,Fischer, G.,Thomas, C.J.,Barry, C.E.,Boshoff, H.I.,Coyne, A.G.,Abell, C. (deposition date: 2019-07-07, release date: 2019-09-25, Last modification date: 2024-01-24) |
Primary citation | Whitehouse, A.J.,Libardo, M.D.J.,Kasbekar, M.,Brear, P.D.,Fischer, G.,Thomas, C.J.,Barry 3rd, C.E.,Boshoff, H.I.M.,Coyne, A.G.,Abell, C. Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode. J.Med.Chem., 62:10586-10604, 2019 Cited by PubMed: 31517489DOI: 10.1021/acs.jmedchem.9b01203 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.85 Å) |
Structure validation
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