6H5G

Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 3

Summary for 6H5G

Entry DOI	10.2210/pdb6h5g/pdb
Descriptor	3-dehydroquinate dehydratase, (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(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	1
Total formula weight	27855.19
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, 6:3127-3135, 2019 Cited by DOI: 10.1039/c9qo00453j PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.04 Å)

Structure validation