3N0G

Crystal Structure of Isoprene Synthase from Grey Poplar Leaves (Populus x canescens) in complex with three Mg2+ ions and dimethylallyl-S-thiolodiphosphate

Summary for 3N0G

• Entry DOI: 10.2210/pdb3n0g/pdb
• Related: 3N0F
• Descriptor: Isoprene synthase, DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, ... (4 entities in total)
• Functional Keywords: terpene cyclase fold, hemiterpene synthase, ddxxd motif, nse/dte motif, dimethylallyl-s-thiolodiphosphate, lyase
• Biological source: Populus tremula x Populus alba (gray poplar)
• Total number of polymer chains: 2
• Total formula weight: 128906.16

Authors

Koksal, M.,Christianson, D.W. (deposition date: 2010-05-14, release date: 2010-07-21, Last modification date: 2023-09-06)

Primary citation

Koksal, M.,Zimmer, I.,Schnitzler, J.P.,Christianson, D.W.
Structure of isoprene synthase illuminates the chemical mechanism of teragram atmospheric carbon emission.
J.Mol.Biol., 402:363-373, 2010

PubMed Abstract: The X-ray crystal structure of recombinant PcISPS (isoprene synthase from gray poplar hybrid Populus×canescens) has been determined at 2.7 Å resolution, and the structure of its complex with three Mg(2+) and the unreactive substrate analogue dimethylallyl-S-thiolodiphosphate has been determined at 2.8 Å resolution. Analysis of these structures suggests that the generation of isoprene from substrate dimethylallyl diphosphate occurs via a syn-periplanar elimination mechanism in which the diphosphate-leaving group serves as a general base. This chemical mechanism is responsible for the annual atmospheric emission of 100 Tg of isoprene by terrestrial plant life. Importantly, the PcISPS structure promises to guide future protein engineering studies, potentially leading to hydrocarbon fuels and products that do not rely on traditional petrochemical sources.

PubMed: 20624401
DOI: 10.1016/j.jmb.2010.07.009

Experimental method

X-RAY DIFFRACTION (2.8 Å)