4RF3

Crystal Structure of ketoreductase from Lactobacillus kefir, mutant A94F

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)	NADPH dependent R-specific alcohol dehydrogenase	polymer	272	29056.8	2	UniProt (Q6WVP7) Pfam (PF13561)	Lactobacillus kefiri	Ketoreductase
2	C, D (A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
3	E, F, G (B)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
4	H (A)	water	water		18.0	137	Chemie (HOH)

Sequence modifications

A, B: 1 - 252 (UniProt: Q6WVP7)

PDB	External Database	Details
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Gly -11	-	expression tag
Gly -10	-	expression tag
Leu -9	-	expression tag
Val -8	-	expression tag
Pro -7	-	expression tag
Arg -6	-	expression tag
Gly -5	-	expression tag
Ser -4	-	expression tag
His -3	-	expression tag
Gly -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Phe 94	Ala 94	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	58113.5
Non-Polymers*	Number of molecules	5
	Total formula weight	324.9
All*	Total formula weight	58438.4

*Water molecules are not included.