6H5C

Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 1

Summary for 6H5C

• Entry DOI: 10.2210/pdb6h5c/pdb
• Descriptor: 3-dehydroquinate dehydratase, (1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic Acid (3 entities in total)
• Functional Keywords: lyase activity, chorismate biosynthetic process, 3-dehydroquinase, covalent inhibitor, lyase
• Biological source: Salmonella enterica subsp. enterica serovar Typhi
• Total number of polymer chains: 2
• Total formula weight: 55742.37

Authors

Sanz-Gaitero, M.,Maneiro, M.,Lence, E.,Otero, J.M.,Thompson, P.,Hawkins, A.R.,Gonzalez-Bello, C.,van Raaij, M.J. (deposition date: 2018-07-24, release date: 2019-07-24, Last modification date: 2024-01-17)

• Primary citation: Maneiro, M.,Lence, E.,Sanz-Gaitero, M.,Otero, J.M.,van Raaij, M.J.,Thompson, P.,Hawkins, A.R.,Gonzalez-Bello, C.; Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme.; Org Chem Front, 9:3127-3135, 2019; DOI: 10.1039/c9qo00453j

Experimental method

X-RAY DIFFRACTION (1.14 Å)