4KVI

Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolin-1-ium

Summary for 4KVI

Entry DOI	10.2210/pdb4kvi/pdb
Related	3BNY 4KUX 4KVD
Descriptor	Aristolochene synthase, MAGNESIUM ION, PYROPHOSPHATE 2-, ... (5 entities in total)
Functional Keywords	class i terpene cyclase, alpha-helical fold, farnesyl diphosphate, metal-binding, magnesium, lyase-lyase inhibitor complex, lyase/lyase inhibitor
Biological source	Aspergillus terreus
Total number of polymer chains	4
Total formula weight	146650.36
Authors	Chen, M.,Faraldos, J.A.,Al-lami, N.,Janvier, M.,D'Antonio, E.L.,Cane, D.E.,Allemann, R.K.,Christianson, D.W. (deposition date: 2013-05-22, release date: 2013-08-14, Last modification date: 2023-09-20)
Primary citation	Chen, M.,Al-Lami, N.,Janvier, M.,D'Antonio, E.L.,Faraldos, J.A.,Cane, D.E.,Allemann, R.K.,Christianson, D.W. Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry, 52:5441-5453, 2013 Cited by PubMed: 23905850 DOI: 10.1021/bi400691v PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.15 Å)

Structure validation