5IMI

Crystal structure of S303A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium

Summary for 5IMI

Entry DOI	10.2210/pdb5imi/pdb
Related	5IMN 5IMP 5IN8
Descriptor	Aristolochene synthase, PYROPHOSPHATE 2-, MAGNESIUM ION, ... (6 entities in total)
Functional Keywords	lyase, terpene cyclases, lyase-lyase inhibitor complex, lyase/lyase inhibitor
Biological source	Aspergillus terreus
Total number of polymer chains	4
Total formula weight	146742.62
Authors	Chen, M.,Christianson, D.W. (deposition date: 2016-03-06, release date: 2016-05-25, Last modification date: 2023-09-27)
Primary citation	Chen, M.,Chou, W.K.,Al-Lami, N.,Faraldos, J.A.,Allemann, R.K.,Cane, D.E.,Christianson, D.W. Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase. Biochemistry, 55:2864-2874, 2016 Cited by PubMed: 27172425 DOI: 10.1021/acs.biochem.6b00343 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.462 Å)

Structure validation