4LCL

Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD6 mutant (simh6208)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Transesterase	polymer	433	48394.1	2	UniProt (Q9Y7D1) Pfam (PF00144)	Aspergillus terreus
2	C, D (A, B)	ISOPROPYL ALCOHOL	non-polymer		60.1	2	Chemie (IPA)
3	E, F (A, B)	water	water		18.0	383	Chemie (HOH)

Sequence modifications

A, B: 1 - 413 (UniProt: Q9Y7D1)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Val 9	Ala 9	engineered mutation
Glu 26	Lys 26	engineered mutation
Ala 40	Cys 40	engineered mutation
Arg 43	Asn 43	engineered mutation
Asn 60	Cys 60	engineered mutation
Pro 123	Ala 123	engineered mutation
Val 157	Met 157	engineered mutation
Gly 164	Ser 164	engineered mutation
Asn 172	Ser 172	engineered mutation
Phe 174	Leu 174	engineered mutation
Leu 178	Ala 178	engineered mutation
Gly 191	Asn 191	engineered mutation
Ile 192	Leu 192	engineered mutation
Met 241	Gln 241	engineered mutation
Ser 247	Ala 247	engineered mutation
Lys 250	Arg 250	engineered mutation
Ser 275	Gly 275	engineered mutation
Glu 297	Gln 297	engineered mutation
Met 361	Leu 361	engineered mutation
Ile 370	Val 370	engineered mutation
Val 383	Ala 383	engineered mutation
Lys 404	His 404	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	96788.3
Non-Polymers*	Number of molecules	2
	Total formula weight	120.2
All*	Total formula weight	96908.5

*Water molecules are not included.