Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain:

Ligands
Code Name Link
JPS (4r,6r,7s)-2-(2-cyclopropylethyl)-4,6,7-trihydroxy-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid
Code : 2XDA
Header : LYASE
Title : STRUCTURE OF HELICOBACTER PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH INHIBITOR COMPOUND (4R,6R,7S)-2-(2-Cyclopropyl)ethyl-4,6,7- trihydroxy-4,5,6,7-tetrahydrobenzo(B)thiophene-4-carboxylic acid
Release Data : 2010-11-24
Compound :
mol_id molecule chains synonym
1 3-DEHYDROQUINATE DEHYDRATASE A 3-DEHYDROQUINASE
ec: 4.2.1.10
Source :
mol_id organism_scientific expression_system
1 HELICOBACTER PYLORI  (taxid:210) ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_plasmid: PET21A
Authors : Paz, S., Tizon, L., Otero, J.M., Llamas-Saiz, A.L., Fox, G.C., van Raaij, M.J., Lamb, H., Hawkins, A.R., Castedo, L., Gonzalez-Bello, C.
Keywords : AROMATIC AMINO ACID BIOSYNTHESIS, LYASE
Exp. method : X-RAY DIFFRACTION ( 1.85 Å )
Citation :

Tetrahydrobenzothiophene derivatives: conformationally restricted inhibitors of type II dehydroquinase.

Paz, S.,Tizon, L.,Otero, J.M.  et al.
(2011)  ChemMedChem  6 : 266 - 272

PubMed: 21275050
DOI: 10.1002/cmdc.201000343

Chain : A
UniProt : Q48255 (AROQ_HELPY)
Reaction : 3-dehydroquinate = 3-dehydroshikimate + H(2)O.