Het-PDB Navi2 (PDB: 2XDA)

The number of atoms exceeds 100,000.
So, it can not be displayed here.

Select unit:

Select hetatm:

information

centroid:

interaction residue:

Select chain: Sequence Hide other chain(s)

Data format:

Color scheme of protein:

Ligands
Code	Name		Style	Show	Link
JPS	(4r,6r,7s)-2-(2-cyclopropylethyl)-4,6,7-trihydroxy-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid				PoSSuM

Non-standard Residues
Code	Name	Show

Glycosylation
Code	Name	Emphasize

Modification
Code	Name	Show

Download interaction data: 2XDA

Code :

2XDA PDBj RCSB PDB PDBe

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 :

UniProt :

Q48255 (AROQ_HELPY)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
3-dehydroquinate = 3-dehydroshikimate + H2O	4.2.1.10	-
3-dehydroquinate = 3-dehydroshikimate + H2O	-	-

PDB ID: 2XDA

Hetero Atom Contents

Structure summary

Reaction