4CIW

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

Summary for 4CIW

Entry DOI	10.2210/pdb4ciw/pdb
Related	4CIV 4CIX 4CIY
Descriptor	3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION, SODIUM ION, ... (5 entities in total)
Functional Keywords	bacterial proteins, lyase, inhibitor, protein binding, shikimis acid pathway, substrate specificity
Biological source	MYCOBACTERIUM TUBERCULOSIS
Total number of polymer chains	1
Total formula weight	16059.97
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 (2.2 Å)

Structure validation