7XWU

Ketoreductase CpKR mutant - M1

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)	Epimerase domain-containing protein	polymer	377	41524.2	2	UniProt (G8B6C8) Pfam (PF01370)	Candida parapsilosis
2	C, E (A, B)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
3	D (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
4	F, G (A, B)	water	water		18.0	425	Chemie (HOH)

Sequence modifications

A, B: 1 - 341 (UniProt: G8B6C8)

PDB	External Database	Details
Met -35	-	initiating methionine
Gly -34	-	expression tag
Ser -33	-	expression tag
Ser -32	-	expression tag
His -31	-	expression tag
His -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
His -26	-	expression tag
Ser -25	-	expression tag
Ser -24	-	expression tag
Gly -23	-	expression tag
Leu -22	-	expression tag
Val -21	-	expression tag
Pro -20	-	expression tag
Arg -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
Met -15	-	expression tag
Ala -14	-	expression tag
Ser -13	-	expression tag
Met -12	-	expression tag
Thr -11	-	expression tag
Gly -10	-	expression tag
Gly -9	-	expression tag
Gln -8	-	expression tag
Gln -7	-	expression tag
Met -6	-	expression tag
Gly -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
Glu -1	-	expression tag
Phe 0	-	expression tag
Leu 24	Val 24	engineered mutation
Ile 118	Val 118	engineered mutation
Phe 177	Leu 177	engineered mutation
Ala 181	Thr 181	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	83048.4
Non-Polymers*	Number of molecules	3
	Total formula weight	1597.0
All*	Total formula weight	84645.3

*Water molecules are not included.