7QUJ

Structure of NsNEPS2, a 7S-cis-trans nepetalactone synthase

Summary for 7QUJ

• Entry DOI: 10.2210/pdb7quj/pdb
• Descriptor: NsNEPS2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (3 entities in total)
• Functional Keywords: sdr, cyclisation, oxidation, nad+, biosynthetic protein
• Biological source: Nepeta sibirica
• Total number of polymer chains: 4
• Total formula weight: 122246.45

Authors

Hernandez Lozada, N.J.,Hong, B.,Wood, J.C.,Caputi, L.,Basquin, J.,Chuang, L.,Kunert, M.,Rodriguez Lopez, C.R.,Langley, C.,Zhao, D.,Buell, C.R.,Lichman, B.R.,O'Connor, S.E. (deposition date: 2022-01-18, release date: 2022-12-28, Last modification date: 2024-01-31)

Primary citation

Hernandez Lozada, N.J.,Hong, B.,Wood, J.C.,Caputi, L.,Basquin, J.,Chuang, L.,Kunert, M.,Rodriguez Lopez, C.E.,Langley, C.,Zhao, D.,Buell, C.R.,Lichman, B.R.,O'Connor, S.E.
Biocatalytic routes to stereo-divergent iridoids.
Nat Commun, 13:4718-4718, 2022

PubMed Abstract: Thousands of natural products are derived from the fused cyclopentane-pyran molecular scaffold nepetalactol. These natural products are used in an enormous range of applications that span the agricultural and medical industries. For example, nepetalactone, the oxidized derivative of nepetalactol, is known for its cat attractant properties as well as potential as an insect repellent. Most of these naturally occurring nepetalactol-derived compounds arise from only two out of the eight possible stereoisomers, 7S-cis-trans and 7R-cis-cis nepetalactols. Here we use a combination of naturally occurring and engineered enzymes to produce seven of the eight possible nepetalactol or nepetalactone stereoisomers. These enzymes open the possibilities for biocatalytic production of a broader range of iridoids, providing a versatile system for the diversification of this important natural product scaffold.

PubMed: 35953485
DOI: 10.1038/s41467-022-32414-w

Experimental method

X-RAY DIFFRACTION (1.85 Å)