Summary for 9LPB
| Entry DOI | 10.2210/pdb9lpb/pdb |
| Descriptor | Terpene synthase (2 entities in total) |
| Functional Keywords | cis-eunicellane cyclase, metal binding protein |
| Biological source | Amycolatopsis arida |
| Total number of polymer chains | 1 |
| Total formula weight | 42459.11 |
| Authors | Li, F.R.,Yang, Q.,He, J.Y.,Sun, X.R.,Pan, X.M.,Xu, H.M.,Rudolf, J.D.,Dong, L.B. (deposition date: 2025-01-24, release date: 2025-05-07) |
| Primary citation | Li, F.R.,Yang, Q.,He, J.,Sun, X.,Pan, X.,Xu, H.M.,Rudolf, J.D.,Dong, L.B. Crystal Structure and Catalytic Mechanism of the cis-Eunicellane Cyclase AriE. Chemistry, :e202500012-e202500012, 2025 Cited by PubMed Abstract: Eunicellane diterpenoids, with over 360 known examples characterized by a cis- or trans-6/10-bicyclic carbon skeleton, exhibit diverse biological activities. To date, five eunicellane cyclases (ECs) have been reported: cis-ECs (Bnd4, CpDTS2 and EcTPS1) and trans-ECs (AlbS and MicA), yet the structural basis and molecular mechanisms governing their distinct cis- or trans-cyclization modes remain unsolved. Here, we present the crystal structure of a cis-EC AriE from Amycolatopsis arida, which catalyzes geranylgeranyl diphosphate to form cis-6/10-fused bicyclic benditerpe-2,6,15-triene (1) in aridacin biosynthesis. Through surface entropy reduction, we obtained the 1.87 Å resolution structure of AriED128A. Structure-guided mutagenesis identified W73 as a key regulatory hotspot controlling product diversity, with its variants generating diverse diterpene products. Y203A converted AriE into a highly specific (-)-(R)-cembrene A synthase. Our findings provide the first structural insights into this type of terpene synthase and demonstrate the feasibility of engineering EC variants for selective product formation. PubMed: 40265331DOI: 10.1002/chem.202500012 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.87 Å) |
Structure validation
Download full validation report
