PDBsum entry 4mux

Oxidoreductase

PDB id: 4mux

Contents

Protein chains

309 a.a.

Ligands

SF4-2E4 ×2

Waters ×254

PDB id:

4mux

Name:

Oxidoreductase

Title:

Isph in complex with pyridin-3-ylmethyl diphosphate

Structure:

4-hydroxy-3-methylbut-2-enyl diphosphate reductase. Chain: a, b. Engineered: yes

Source:

Escherichia coli. Organism_taxid: 83333. Strain: k-12. Gene: ecdh1me8569_0026, isph. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

1.70Å R-factor: 0.209 R-free: 0.241

Authors:

I.Span,W.Eisenreich,A.Bacher,E.Oldfield,M.Groll

Key ref:

I.Span et al. (2014). Insights into the binding of pyridines to the iron-sulfur enzyme IspH. J Am Chem Soc, 136, 7926-7932. PubMed id: 24813236 DOI: 10.1021/ja501127j

Date:

23-Sep-13 Release date: 18-Jun-14

Protein chains

C9QSC3  (C9QSC3_ECOD1) -

Enzyme reactions

• Enzyme class: E.C.1.17.1.2 - Transferred entry: 1.17.7.4.
• Pathway: Non-Mevalonate Terpenoid biosynthesis
• Reaction:
  1. Isopentenyl diphosphate + NAD(P)(+) + H₂O = (E)-4-hydroxy-3- methylbut-2-en-1-yl diphosphate + NAD(P)H
  2. Dimethylallyl diphosphate + NAD(P)(+) + H₂O = (E)-4-hydroxy-3- methylbut-2-en-1-yl diphosphate + NAD(P)H

Isopentenyl diphosphate (Bound ligand (Het Group name = 2E4) matches with 76.47% similarity) + NAD(P)(+) + H(2)O = (E)-4-hydroxy-3- methylbut-2-en-1-yl diphosphate + NAD(P)H

Dimethylallyl diphosphate (Bound ligand (Het Group name = 2E4) matches with 76.47% similarity) + NAD(P)(+) + H(2)O = (E)-4-hydroxy-3- methylbut-2-en-1-yl diphosphate + NAD(P)H

• Cofactor: Iron-sulfur

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

reference

DOI no: 10.1021/ja501127j

J Am Chem Soc 136:7926-7932 (2014)

PubMed id: 24813236

Insights into the binding of pyridines to the iron-sulfur enzyme IspH.

I.Span, K.Wang, W.Eisenreich, A.Bacher, Y.Zhang, E.Oldfield, M.Groll.

ABSTRACT

No abstract given.