PDBsum entry 1h0s

Lyase

PDB id: 1h0s

Contents

Protein chain

137 a.a. *

Ligands

FA6

SO4 ×3

GOL ×3

Waters ×186

* Residue conservation analysis

PDB id:

1h0s

Name:

Lyase

Title:

3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with 3-hydroxyimino-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: 469008.

Biol. unit:

Dodecamer (from PDB file)

Resolution:

1.70Å R-factor: 0.141 R-free: 0.176

Authors:

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

Key ref:

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

Date:

27-Jun-02 Release date: 17-Jul-03

Protein chain

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

Seq: 147 a.a.

Struc: 137 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 = FA6) matches with 80.00% similarity) = 3-dehydroshikimate + H2O

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