9OPS

Structural Insights into Monoterpene Cyclisation of Limonene Synthase from Cannabis sativa

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	(-)-limonene synthase TPS1, chloroplastic	polymer	567	66408.4	1	UniProt (A7IZZ1) Pfam (PF01397) Pfam (PF03936)	Cannabis sativa	(-)-(4S)-limonene synthase,(+)-alpha-pinene synthase TPS1,(+)-beta-pinene synthase TPS1,(R)-limonene synthase,Myrcene synthase TPS1,Terpene synthase 1,CsTPS1,Terpene synthase 14 CT,CsTPS14CT,Terpinolene synthase TPS1
2	B (A)	water	water		18.0	15	Chemie (HOH)

Sequence modifications

A: 5 - 550 (UniProt: A7IZZ1)

PDB	External Database	Details
Met -16	-	initiating methionine
Gly -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Ser -6	-	expression tag
Ser -5	-	expression tag
Gly -4	-	expression tag
Leu -3	-	expression tag
Val -2	-	expression tag
Pro -1	-	expression tag
Arg 0	-	expression tag
Gly 1	-	expression tag
Ser 2	-	expression tag
His 3	-	expression tag
Met 4	-	expression tag
Asp 89	Asn 161	conflict
-	Ile 166	deletion
Cys 512	Lys 585	conflict
Phe 521	Met 594	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	66408.4
All*	Total formula weight	66408.4

*Water molecules are not included.