3QRW

Actinorhodin Polyketide Ketoreductase Mutant P94L bound to NADPH

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)	ketoacyl reductase	polymer	281	29480.4	2	UniProt (P16544) Pfam (PF00106)	Streptomyces coelicolor
2	C, E (A, B)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
3	D (A)	FORMIC ACID	non-polymer		46.0	1	Chemie (FMT)
4	F, G (A, B)	water	water		18.0	41	Chemie (HOH)

Sequence modifications

A, B: 1 - 261 (UniProt: P16544)

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
Leu 94	Pro 94	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	58960.8
Non-Polymers*	Number of molecules	3
	Total formula weight	1536.9
All*	Total formula weight	60497.7

*Water molecules are not included.