4B6O

Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2S)-2-(4-methoxy)benzyl-3-dehydroquinic acid

Summary for 4B6O

Entry DOI	10.2210/pdb4b6o/pdb
Related	1H05 1H0R 1H0S 2DHQ 2XB8 2Y71 2Y76 2Y77 4B6P 4B6Q 4B6R 4B6S
Descriptor	3-DEHYDROQUINATE DEHYDRATASE, (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, SULFATE ION, ... (4 entities in total)
Functional Keywords	lyase, inhibitor
Biological source	MYCOBACTERIUM TUBERCULOSIS
Total number of polymer chains	1
Total formula weight	16371.29
Authors	Otero, J.M.,Llamas-Saiz, A.L.,Lence, E.,Tizon, L.,Peon, A.,Prazeres, V.F.V.,Lamb, H.,Hawkins, A.R.,Gonzalez-Bello, C.,van Raaij, M.J. (deposition date: 2012-08-14, release date: 2012-12-19, Last modification date: 2023-12-20)
Primary citation	Lence, E.,Tizon, L.,Otero, J.M.,Peon, A.,Prazeres, V.F.,Llamas-Saiz, A.L.,Fox, G.C.,van Raaij, M.J.,Lamb, H.,Hawkins, A.R.,Gonzalez-Bello, C. Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids. ACS Chem. Biol., 8:568-577, 2013 Cited by PubMed: 23198883 DOI: 10.1021/cb300493s PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation