Brand  (β version)

color scheme of protein:

hetatm:

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information
centroid:
interaction residue:

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Ligands
Code Name Link
FSQ (1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
Code : 6H5C
Header : LYASE
Title : Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 1
Release Data : 2019-07-24
Compound :
mol_id molecule chains synonym
1 3-dehydroquinate dehydratase A,B 3-dehydroquinase,Type I DHQase,Type I dehydroquinase,DHQ1
ec: 4.2.1.10
Source :
mol_id organism_scientific expression_system
1 Salmonella enterica subsp. enterica serovar Typhi  (taxid:90370) Escherichia coli  (taxid:562)
atcc: 19430
gene: aroD, STY1760, t1231
expression_system_vector_type: plasmid
Authors : Sanz-Gaitero, M., Maneiro, M., Lence, E., Otero, J.M., Thompson, P., Hawkins, A.R., Gonzalez-Bello, C., van Raaij, M.J.
Keywords : lyase activity, chorismate biosynthetic process, 3-dehydroquinase, covalent inhibitor, lyase
Exp. method : X-RAY DIFFRACTION ( 1.14 Å )
Citation :

Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme.

Maneiro, M.,Lence, E.,Sanz-Gaitero, M.  et al.
(2019)  Org Chem Front  9 : 3127 - 3135

DOI: 10.1039/c9qo00453j

Chain : A, B
UniProt : P24670 (AROD_SALTI)
Reaction : 3-dehydroquinate = 3-dehydroshikimate + H(2)O.