6S88
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-((1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)sulfonyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
Summary for 6S88
Entry DOI | 10.2210/pdb6s88/pdb |
Descriptor | Fumarate hydratase class II, ~{N}-[2-methoxy-5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide, FORMIC ACID, ... (5 entities in total) |
Functional Keywords | fumarate hydratase, fumarase, lyase |
Biological source | Mycobacterium tuberculosis |
Total number of polymer chains | 4 |
Total formula weight | 201874.72 |
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: 2019-07-08, 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 (1.59 Å) |
Structure validation
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