PDBsum entry 4uvh

Oxidoreductase

PDB id: 4uvh

Contents

Protein chains

260 a.a.

Ligands

NAD ×4

UUD ×4

ACT ×2

Waters ×665

PDB id:

4uvh

Name:

Oxidoreductase

Title:

Discovery of pyrimidine isoxazoles inha in complex with compound 10

Structure:

Enoyl-[acyl-carrier-protein] reductase [nadh]. Chain: a, b, c, d. Synonym: enoyl-acyl carrier protein reductase. Engineered: yes

Source:

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

Resolution:

1.89Å R-factor: 0.155 R-free: 0.186

Authors:

J.A.Read,H.Gingell,P.Madhavapeddi,S.Ghorpade,S.Cowan

Key ref:

P.Madhavapeddi et al. Hitting the target in more than one way: novel, Direc inhibitors of mycobacterium tuberculosis enoyl acp reductase. To be published, .

Date:

05-Aug-14 Release date: 30-Sep-15

Protein chains

P9WGR1  (INHA_MYCTU) -  Enoyl-[acyl-carrier-protein] reductase [NADH] from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)

Seq: 269 a.a.

Struc: 260 a.a.

Enzyme reactions

• Enzyme class: E.C.1.3.1.9 - enoyl-[acyl-carrier-protein] reductase (NADH).
• Reaction: a 2,3-saturated acyl-[ACP] + NAD⁺ = a (2E)-enoyl-[ACP] + NADH + H⁺

2,3-saturated acyl-[ACP] + NAD(+) (Bound ligand (Het Group name = NAD) corresponds exactly) = (2E)-enoyl-[ACP] + NADH + H(+)

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