2Y76

Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-5-ylmethoxy)-2-(benzo(b) thiophen-5-ylmethyl)-1,4,5-trihydroxycyclohex-2-enecarboxylate

Summary for 2Y76

Entry DOI	10.2210/pdb2y76/pdb
Related	1H05 1H0R 1H0S 2DHQ 2XB8 2Y71 2Y77
Descriptor	3-DEHYDROQUINATE DEHYDRATASE, (1R,4S,5R)-3-(BENZO[b]THIOPHEN-5-YL)METHOXY-2-(BENZO[b]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE, SULFATE ION, ... (4 entities in total)
Functional Keywords	lyase, amino acid biosynthesis
Biological source	MYCOBACTERIUM TUBERCULOSIS
Total number of polymer chains	1
Total formula weight	16447.49
Authors	Otero, J.M.,Llamas-Saiz, A.L.,Fox, G.C.,Tizon, L.,Prazeres, V.F.V.,Lamb, H.,Hawkins, A.R.,Ainsa, J.A.,Castedo, L.,Gonzalez-Bello, C.,van Raaij, M.J. (deposition date: 2011-01-28, release date: 2011-08-17, Last modification date: 2023-12-20)
Primary citation	Tizon, L.,Otero, J.M.,Prazeres, V.F.,Llamas-Saiz, A.L.,Fox, G.C.,van Raaij, M.J.,Lamb, H.,Hawkins, A.R.,Ainsa, J.A.,Castedo, L.,Gonzalez-Bello, C. A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors. J. Med. Chem., 54:6063-6084, 2011 Cited by PubMed: 21780742 DOI: 10.1021/jm2006063 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation