PDBsum entry 1h0r

Dehydratase

PDB id: 1h0r

Contents

Protein chain

139 a.a. *

Ligands

FA1

PO4

GOL

Metals

_CL ×2

Waters ×153

* Residue conservation analysis

PDB id:

1h0r

Name:

Dehydratase

Title:

Type ii dehydroquinase from mycobacterium tuberculosis complexed with 2,3-anhydro-quinic acid

Structure:

3-dehydroquinate dehydratase. Chain: a. Synonym: 3-dehydroquinase, type ii dhqase. Engineered: yes

Source:

Mycobacterium tuberculosis. Organism_taxid: 83332. Strain: h37rv. Expressed in: escherichia coli. Expression_system_taxid: 511693.

Biol. unit:

Dodecamer (from PDB file)

Resolution:

2.10Å R-factor: 0.144 R-free: 0.216

Authors:

A.W.Roszak,D.A.Robinson,M.Frederickson,C.Abell,J.R.Coggins, A.J.Lapthorn

Key ref:

D.A.Robinson et al. Structural basis for selectivity of oxime based inhibitors towards type ii dehydroquinase from mycobacterium tuberculosis. To be published, .

Date:

27-Jun-02 Release date: 23-Oct-03

Protein chain

P9WPX7  (AROQ_MYCTU) -  3-dehydroquinate dehydratase from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)

Seq: 147 a.a.

Struc: 139 a.a.

Enzyme reactions

• Enzyme class: E.C.4.2.1.10 - 3-dehydroquinate dehydratase.
• Pathway: Shikimate and Chorismate Biosynthesis
• Reaction: 3-dehydroquinate = 3-dehydroshikimate + H2O

3-dehydroquinate (Bound ligand (Het Group name = FA1) matches with 92.31% similarity) = 3-dehydroshikimate + H2O

Molecule diagrams generated from .mol files obtained from the KEGG ftp site