6ZH7
Crystal structure of fatty acid photodecarboxylase in the dark state determined by serial femtosecond crystallography at room temperature
Summary for 6ZH7
| Entry DOI | 10.2210/pdb6zh7/pdb |
| Descriptor | Fatty acid photodecarboxylase, chloroplastic, FLAVIN-ADENINE DINUCLEOTIDE, STEARIC ACID, ... (4 entities in total) |
| Functional Keywords | photoenzyme, xfel, radiation damage free, oxidoreductase |
| Biological source | Chlorella variabilis |
| Total number of polymer chains | 2 |
| Total formula weight | 124942.20 |
| Authors | Hadjidemetriou, K.,Coquelle, N.,Weik, M.,Schlichting, I.,Barends, T.R.M.,Colletier, J.P. (deposition date: 2020-06-21, release date: 2021-04-14, Last modification date: 2024-01-24) |
| Primary citation | Sorigue, D.,Hadjidemetriou, K.,Blangy, S.,Gotthard, G.,Bonvalet, A.,Coquelle, N.,Samire, P.,Aleksandrov, A.,Antonucci, L.,Benachir, A.,Boutet, S.,Byrdin, M.,Cammarata, M.,Carbajo, S.,Cuine, S.,Doak, R.B.,Foucar, L.,Gorel, A.,Grunbein, M.,Hartmann, E.,Hienerwadel, R.,Hilpert, M.,Kloos, M.,Lane, T.J.,Legeret, B.,Legrand, P.,Li-Beisson, Y.,Moulin, S.L.Y.,Nurizzo, D.,Peltier, G.,Schiro, G.,Shoeman, R.L.,Sliwa, M.,Solinas, X.,Zhuang, B.,Barends, T.R.M.,Colletier, J.P.,Joffre, M.,Royant, A.,Berthomieu, C.,Weik, M.,Domratcheva, T.,Brettel, K.,Vos, M.H.,Schlichting, I.,Arnoux, P.,Muller, P.,Beisson, F. Mechanism and dynamics of fatty acid photodecarboxylase. Science, 372:-, 2021 Cited by PubMed Abstract: Fatty acid photodecarboxylase (FAP) is a photoenzyme with potential green chemistry applications. By combining static, time-resolved, and cryotrapping spectroscopy and crystallography as well as computation, we characterized FAP reaction intermediates on time scales from subpicoseconds to milliseconds. High-resolution crystal structures from synchrotron and free electron laser x-ray sources highlighted an unusual bent shape of the oxidized flavin chromophore. We demonstrate that decarboxylation occurs directly upon reduction of the excited flavin by the fatty acid substrate. Along with flavin reoxidation by the alkyl radical intermediate, a major fraction of the cleaved carbon dioxide unexpectedly transformed in 100 nanoseconds, most likely into bicarbonate. This reaction is orders of magnitude faster than in solution. Two strictly conserved residues, R451 and C432, are essential for substrate stabilization and functional charge transfer. PubMed: 33833098DOI: 10.1126/science.abd5687 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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