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: 24689821DOI: 10.1021/jm500175z PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.1 Å) |
Structure validation
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