4LTZ

F95M Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Epi-isozizaene synthase	polymer	382	43700.0	1	UniProt (Q9K499) Pfam (PF19086)	Streptomyces coelicolor	EIZS, Sesquiterpene cyclase, Sesquiterpene synthase
2	B (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
3	C, D, E (A)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
4	F (A)	PYROPHOSPHATE 2-	non-polymer		176.0	1	Chemie (POP)
5	G (A)	N-benzyl-N,N-diethylethanaminium	non-polymer		192.3	1	Chemie (BTM)
6	H (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
7	I (A)	water	water		18.0	80	Chemie (HOH)

Sequence modifications

A: 2 - 361 (UniProt: Q9K499)

PDB	External Database	Details
Met -20	-	expression tag
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag
Val 1	-	expression tag
Met 95	Phe 95	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	43700.0
Non-Polymers*	Number of molecules	7
	Total formula weight	629.4
All*	Total formula weight	44329.4

*Water molecules are not included.