PDBsum entry 5e4m

Lyase

PDB id: 5e4m

Contents

Protein chains

177 a.a.

Ligands

HBA ×6

Waters ×384

PDB id:

5e4m

Name:

Lyase

Title:

Hydroxynitrile lyase from the fern davallia tyermanii in complex with p-hydroxybenzaldehyde

Structure:

Hydroxynitrile lyase. Chain: a, b. Engineered: yes. Other_details: genbank asseccion number kt804569

Source:

Davallia tyermannii. Organism_taxid: 328207. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

1.80Å R-factor: 0.167 R-free: 0.199

Authors:

T.Pavkov-Keller,M.Diepold,K.Gruber

Key ref:

E.Lanfranchi et al. (2017). Enzyme discovery beyond homology: a unique hydroxynitrile lyase in the Bet v1 superfamily. Sci Rep, 7, 46738. PubMed id: 28466867

Date:

06-Oct-15 Release date: 05-Oct-16

Protein chains

A0A1C9V3S9  (A0A1C9V3S9_9MONI) -  Hydroxynitrile lyase from Davallia tyermanii

Seq: 184 a.a.

Struc: 177 a.a.

Sci Rep 7:46738 (2017)

PubMed id: 28466867

Enzyme discovery beyond homology: a unique hydroxynitrile lyase in the Bet v1 superfamily.

E.Lanfranchi, T.Pavkov-Keller, E.M.Koehler, M.Diepold, K.Steiner, B.Darnhofer, J.Hartler, T.Van Den Bergh, H.J.Joosten, M.Gruber-Khadjawi, G.G.Thallinger, R.Birner-Gruenberger, K.Gruber, M.Winkler, A.Glieder.

ABSTRACT

Homology and similarity based approaches are most widely used for the identification of new enzymes for biocatalysis. However, they are not suitable to find truly novel scaffolds with a desired function and this averts options and diversity. Hydroxynitrile lyases (HNLs) are an example of non-homologous isofunctional enzymes for the synthesis of chiral cyanohydrins. Due to their convergent evolution, finding new representatives is challenging. Here we show the discovery of unique HNL enzymes from the fern Davallia tyermannii by coalescence of transcriptomics, proteomics and enzymatic screening. It is the first protein with a Bet v1-like protein fold exhibiting HNL activity, and has a new catalytic center, as shown by protein crystallography. Biochemical properties of D. tyermannii HNLs open perspectives for the development of a complementary class of biocatalysts for the stereoselective synthesis of cyanohydrins. This work shows that systematic integration of -omics data facilitates discovery of enzymes with unpredictable sequences and helps to extend our knowledge about enzyme diversity.