4CIY

Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-((1R)-1-hydroxy-2- phenyl)ethylcyclohex-2-en-1-carboxylic acid

Summary for 4CIY

Entry DOI	10.2210/pdb4ciy/pdb
Related	4CIV 4CIW 4CIX
Descriptor	3-DEHYDROQUINATE DEHYDRATASE, (1R,4R,5R)-1,4,5-trihydroxy-3-[(1R)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid, SULFATE ION, ... (6 entities in total)
Functional Keywords	lyase, inhibitor, protein binding, shikimis acid p substrate specificity
Biological source	MYCOBACTERIUM TUBERCULOSIS
Total number of polymer chains	1
Total formula weight	16171.52
Authors	Otero, J.M.,Llamas-Saiz, A.L.,Lamb, H.,Hawkins, A.R.,Blanco, B.,Sedes, A.,Peon, A.,Gonzalez-Bello, C.,van Raaij, M.J. (deposition date: 2013-12-17, release date: 2014-04-16, Last modification date: 2023-12-20)
Primary citation	Blanco, B.,Sedes, A.,Peon, A.,Otero, J.M.,van Raaij, M.J.,Thompson, P.,Hawkins, A.R.,Gonzalez-Bello, C. Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors. J. Med. Chem., 57:3494-3510, 2014 Cited by PubMed: 24689821 DOI: 10.1021/jm500175z PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation