PDBsum entry 4p8h

Oxidoreductase/oxidoreductase inhibitor

PDB id: 4p8h

Contents

Protein chains

413 a.a.

Ligands

FAD ×2

O95 ×2

Waters ×18

PDB id:

4p8h

Name:

Oxidoreductase/oxidoreductase inhibitor

Title:

Crystal structure of m. Tuberculosis dpre1 in complex with the nitro- benzothiazole 6a

Structure:

Probable decaprenylphosphoryl-beta-d-ribose oxidase. Chain: a, b. Synonym: dpre1. Engineered: yes

Source:

Mycobacterium tuberculosis. Organism_taxid: 83332. Strain: h37rv. Gene: dpre1, rv3790, mt3898. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

3.00Å R-factor: 0.243 R-free: 0.307

Authors:

J.Neres,S.T.Cole

Key ref:

J.Neres and s.t.cole Non-Mutagenic nitrobenzothiazoles as novel anti-Tuber agents: a balance between potency and electron affini. To be published, .

Date:

31-Mar-14 Release date: 28-Oct-15

Protein chains

P9WJF1  (DPRE1_MYCTU) -  Decaprenylphosphoryl-beta-D-ribose oxidase from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)

Seq: 461 a.a.

Struc: 413 a.a.

Enzyme reactions

• Enzyme class: E.C.1.1.98.3 - decaprenylphospho-beta-D-ribofuranose 2-dehydrogenase.
• Reaction: trans,octa-cis-decaprenylphospho-beta-D-ribofuranose + FAD + H⁺ = trans,octa-cis-decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose + FADH2

trans,octa-cis-decaprenylphospho-beta-D-ribofuranose (Bound ligand (Het Group name = FAD) corresponds exactly) + FAD + H(+) = trans,octa-cis-decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose + FADH2

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