4DC0

Crystal Structure of F189W Actinorhodin Polyketide Ketoreductase with 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	29503.4	2	UniProt (P16544) Pfam (PF00106)	Streptomyces coelicolor
2	C, D (A, B)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
3	E, F (A, B)	water	water		18.0	37	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
Trp 189	Phe 189	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	59006.8
Non-Polymers*	Number of molecules	2
	Total formula weight	1490.8
All*	Total formula weight	60497.6

*Water molecules are not included.