Brand  (β version)

PDB ID: 2WKS

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Ligands
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CB6 (1r,4s,5r)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid PoSSuM
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Structure summary

Code : 2WKS   PDBj   RCSB PDB   PDBe
Header : LYASE
Title : Structure of Helicobacter pylori Type II Dehydroquinase with a new carbasugar-thiophene inhibitor.
Release Data : 2009-11-24
Compound :
mol_id molecule chains synonym
1 3-DEHYDROQUINATE DEHYDRATASE A,B,C,D,E,F 3-DEHYDROQUINASE, TYPE II DHQASE, DEHYDROQUINASE TYPE II
ec: 4.2.1.10
Source :
mol_id organism_scientific expression_system
1 HELICOBACTER PYLORI  (taxid:210) ESCHERICHIA COLI  (taxid:469008)
atcc: 43504
expression_system_strain: BL21(DE3)
expression_system_plasmid: PET21A
Authors : Otero, J.M., Guardado-Calvo, P., Llamas-Saiz, A.L., Prazeres, V.F.V., Tizon, L., Castedo, L., Lamb, H., Hawkins, A.R., Gonzalez-Bello, C., van Raaij, M.J.
Keywords : AROMATIC AMINO ACID BIOSYNTHESIS, LYASE, SHIKIMIC ACID PATHWAY, 3-DEHYDROQUINATE DEHYDRATASE
Exp. method : X-RAY DIFFRACTION ( 2.95 Å )
Citation :

Synthesis and biological evaluation of new nanomolar competitive inhibitors of Helicobacter pylori type II dehydroquinase. Structural details of the role of the aromatic moieties with essential residues.

Prazeres, V.F.,Tizon, L.,Otero, J.M.  et al.
(2010)  J. Med. Chem.  53 : 191 - 200

PubMed: 19911771
DOI: 10.1021/jm9010466

Progress in Type II Dehydroquinase Inhibitors: From Concept to Practice.

Gonzalez-Bello, C.,Castedo, L.
(2007)  Med.Res.Rev.  27 : 177

PubMed: 17004270
DOI: 10.1002/MED.20076

Competitive Inhibitors of Helicobacter Pylori Type II Dehydroquinase: Synthesis, Biological Evaluation, and NMR Studies.

Prazeres, V.F.V.,Sanchez-Sixto, C.,Castedo, L.  et al.
(2008)  Chemmedchem  3 : 756

PubMed: 18200648
DOI: 10.1002/CMDC.200700307

Reaction

Chain : A, B, C, D, E, F
UniProt : Q48255 (AROQ_HELPY)
Reaction: EC: Evidence:
Physiological Direction:
3-dehydroquinate = 3-dehydroshikimate + H2O 4.2.1.10 -
-