bioRxiv preprint doi: https://doi.org/10.1101/2020.06.17.157867; this version posted June 18, 2020. The copyright holder for this preprint (which was not certified by peer review) is the author/funder. All rights reserved. No reuse allowed without permission. Mechanism Underlying Anti-Markovnikov Addition in the Reaction of Pentalenene Synthase Jason O. Matos1†, Ramasamy P. Kumar1†, Alison C. Ma1, MacKenzie Patterson1, Isaac J. Krauss2*, and Daniel D. Oprian1* 1Department of Biochemistry, Brandeis University, Waltham, MA 02454 2Department of Chemistry, Brandeis University, Waltham, MA 02454 AUTHOR INFORMATION † These authors contributed equally to this work Corresponding Authors *D.D.O., Department of Biochemistry, Brandeis University, 415 South St., Waltham, MA 02454. Telephone: 781-736-2322. Fax: 781-736-8487. E-mail:
[email protected]. *I.J.K., Department of Chemistry, Brandeis University, 415 South St., Waltham, MA 02454. Telephone: 781-736-2574. Fax: 781-736-2516. E-mail:
[email protected]. Funding This work was supported by National Institutes of Health Grants T32GM007596 (J.O.M.) and the National Science Foundation CAREER program CHE-1253363 (I.J.K.). bioRxiv preprint doi: https://doi.org/10.1101/2020.06.17.157867; this version posted June 18, 2020. The copyright holder for this preprint (which was not certified by peer review) is the author/funder. All rights reserved. No reuse allowed without permission. ASSOCIATED CONTENT Accession Codes The atomic coordinates and structure factors for the DFFPP-PS compleX have been deposited in the Protein Data Bank. RCSB PDB entry 6WKC (WT-Mg), 6WKD (WT-DFFPP), 6WKE (F76Y), 6WKF (F76Y-DFFPP), 6WKG (F76W), 6WKH (F76W-DFFPP), 6WKI (F76H), 6WKJ (F76H-DFFPP) for the respective models.