PDBsum entry 4ap3

Oxidoreductase

PDB id: 4ap3

Contents

Protein chain

521 a.a.

Ligands

SO4 ×2

FAD

NAP

Waters ×146

PDB id:

4ap3

Name:

Oxidoreductase

Title:

Oxidized steroid monooxygenase bound to NADP

Structure:

Steroid monooxygenase. Chain: a. Engineered: yes. Mutation: yes

Source:

Rhodococcus rhodochrous. Organism_taxid: 1829. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

2.39Å R-factor: 0.209 R-free: 0.239

Authors:

S.Franceschini,H.L.Van Beek,C.Martinoli,A.Pennetta,M.W.Fraaije, A.Mattevi

Key ref:

S.Franceschini et al. (2012). Exploring the structural basis of substrate preferences in Baeyer-Villiger monooxygenases: insight from steroid monooxygenase. J Biol Chem, 287, 22626-22634. PubMed id: 22605340

Date:

30-Mar-12 Release date: 30-May-12

Protein chain

O50641  (O50641_RHORH) -  Steroid monooxygenase from Rhodococcus rhodochrous

Seq: 549 a.a.

Struc: 521 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

• Enzyme class: E.C.1.14.13.54 - ketosteroid monooxygenase.
• Reaction:
  1. progesterone + NADPH + O2 + H⁺ = testosterone acetate + NADP⁺ + H2O
  2. androst-4-ene-3,17-dione + NADPH + O2 + H⁺ = testololactone + NADP⁺ + H2O
  3. 17alpha-hydroxyprogesterone + NADPH + O2 = androst-4-ene-3,17-dione + acetate + NADP⁺ + H2O
• Cofactor: FAD

FAD (Bound ligand (Het Group name = FAD) corresponds exactly)

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

reference

J Biol Chem 287:22626-22634 (2012)

PubMed id: 22605340

Exploring the structural basis of substrate preferences in Baeyer-Villiger monooxygenases: insight from steroid monooxygenase.

S.Franceschini, H.L.van Beek, A.Pennetta, C.Martinoli, M.W.Fraaije, A.Mattevi.

ABSTRACT

No abstract given.