5L4L

polyketide ketoreductase SimC7 - ternary complex with NADP+ and 7-oxo-SD8

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	SimC7	polymer	304	32277.6	1	UniProt (G9VYV4) Pfam (PF13460)	Streptomyces antibioticus
2	B (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
3	C (A)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	1	Chemie (NAP)
4	D (A)	7-oxo-simocyclinone D8	non-polymer		930.3	1	Chemie (7OX)
5	E (A)	water	water		18.0	325	Chemie (HOH)

Sequence modifications

A: 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	1
	Total formula weight	32277.6
Non-Polymers*	Number of molecules	3
	Total formula weight	1765.8
All*	Total formula weight	34043.3

*Water molecules are not included.