6S7U

Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(1H-indol-3-yl)acetamide

Summary for 6S7U

Entry DOI	10.2210/pdb6s7u/pdb
Descriptor	Fumarate hydratase class II, ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1~{H}-indol-3-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	201744.94
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: 2019-07-06, 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: 31517489 DOI: 10.1021/acs.jmedchem.9b01203 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.48 Å)

Structure validation