5L45

polyketide ketoreductase SimC7 - apo crystal form 2

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)	SimC7	polymer	304	32277.6	2	UniProt (G9VYV4)	Streptomyces antibioticus
2	C (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
3	D (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	E, F (A, B)	water	water		18.0	202	Chemie (HOH)

Sequence modifications

A, B: 1 - 284 (UniProt: G9VYV4)

PDB	External Database	Details
Met -19	-	initiating methionine
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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	64555.2
Non-Polymers*	Number of molecules	2
	Total formula weight	286.3
All*	Total formula weight	64841.5

*Water molecules are not included.