PDBsum entry 5cpm

Oxidoreductase

PDB id: 5cpm

Contents

Protein chains

359 a.a.

Ligands

NDP ×2

FNR ×2

Waters ×961

PDB id:

5cpm

Name:

Oxidoreductase

Title:

Xena from pseudomonas putida in complex with nadph4.

Structure:

Xenobiotic reductase. Chain: a, b. Synonym: xenobiotic reductase a. Engineered: yes

Source:

Pseudomonas putida. Organism_taxid: 303. Gene: xena. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

1.50Å R-factor: 0.156 R-free: 0.194

Authors:

T.Knaus,C.E.Paul,C.W.Levy,F.G.Mutti,F.Hollmann,N.S.Scrutton

Key ref:

T.Knaus et al. (2016). Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes. J Am Chem Soc, 138, 1033-1039. PubMed id: 26727612 DOI: 10.1021/jacs.5b12252

Date:

21-Jul-15 Release date: 20-Jan-16

Protein chains

Q9R9V9  (Q9R9V9_PSEPU) -  NADH:flavin oxidoreductase from Pseudomonas putida

Seq: 363 a.a.

Struc: 359 a.a.

DOI no: 10.1021/jacs.5b12252

J Am Chem Soc 138:1033-1039 (2016)

PubMed id: 26727612

Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.

T.Knaus, C.E.Paul, C.W.Levy, S.de Vries, F.G.Mutti, F.Hollmann, N.S.Scrutton.

ABSTRACT

The search for affordable, green biocatalytic processes is a challenge for chemicals manufacture. Redox biotransformations are potentially attractive, but they rely on unstable and expensive nicotinamide coenzymes that have prevented their widespread exploitation. Stoichiometric use of natural coenzymes is not viable economically, and the instability of these molecules hinders catalytic processes that employ coenzyme recycling. Here, we investigate the efficiency of man-made synthetic biomimetics of the natural coenzymes NAD(P)H in redox biocatalysis. Extensive studies with a range of oxidoreductases belonging to the "ene" reductase family show that these biomimetics are excellent analogues of the natural coenzymes, revealed also in crystal structures of the ene reductase XenA with selected biomimetics. In selected cases, these biomimetics outperform the natural coenzymes. "Better-than-Nature" biomimetics should find widespread application in fine and specialty chemicals production by harnessing the power of high stereo-, regio-, and chemoselective redox biocatalysts and enabling reactions under mild conditions at low cost.