4LUU

V329A 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	Epi-isozizaene synthase	polymer	382	43688.0	1	UniProt (Q9K499) Pfam (PF19086) In PDB	Streptomyces coelicolor	EIZS, Sesquiterpene cyclase, Sesquiterpene synthase
2	A	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
3	A	PYROPHOSPHATE 2-	non-polymer		176.0	1	Chemie (POP)
4	A	N-benzyl-N,N-diethylethanaminium	non-polymer		192.3	1	Chemie (BTM)
5	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
6	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
7		water	water		18.0	376	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
Ala 329	Val 329	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	43688.0
Non-Polymers*	Number of molecules	8
	Total formula weight	725.4
All*	Total formula weight	44413.4

*Water molecules are not included.