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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Aristolochene synthase	polymer	314	36221.4	4	UniProt (Q9UR08) Pfam (PF19086)	Aspergillus terreus	AS, Sesquiterpene cyclase
2	E, F, G, J, K... (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	12	Chemie (MG)
3	H, M, O, T (A, B, C, D)	PYROPHOSPHATE 2-	non-polymer		176.0	4	Chemie (POP)
4	I, N, S, X (A, B, C, D)	(4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium	non-polymer		192.3	4	Chemie (1SV)
5	AA, BA, Y, Z (C, D, A, B)	water	water		18.0	892	Chemie (HOH)

Sequence modifications

A, B, C, D: 8 - 314 (UniProt: Q9UR08)

PDB	External Database	Details
Met 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	144885.6
Non-Polymers*	Number of molecules	20
	Total formula weight	1764.8
All*	Total formula weight	146650.4

*Water molecules are not included.