7V50

Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Putative flavin-binding monooxygenase	polymer	562	63330.6	1	UniProt (A0A0A8XFY0) Pfam (PF00743) In PDB	Acinetobacter calcoaceticus
2	A	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	1	Chemie (FAD)
3	A	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	1	Chemie (NAP)
4		water	water		18.0	213	Chemie (HOH)

Sequence modifications

A: 1 - 542 (UniProt: A0A0A8XFY0)

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
Tyr 246	Phe 246	engineered mutation
Leu 277	Phe 277	engineered mutation
Cys 326	Lys 326	engineered mutation
Ser 386	Asn 386	engineered mutation
Lys 388	Ile 388	engineered mutation
Ile 390	Met 390	engineered mutation
Phe 426	Leu 426	engineered mutation
Leu 432	Phe 432	engineered mutation
Ala 433	Thr 433	engineered mutation
Ser 435	Leu 435	engineered mutation
Ile 438	Ser 438	engineered mutation
Lys 488	Glu 488	engineered mutation
Cys 489	Ser 489	engineered mutation
Arg 490	Trp 490	engineered mutation
Leu 505	Phe 505	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	63330.6
Non-Polymers*	Number of molecules	2
	Total formula weight	1529.0
All*	Total formula weight	64859.5

*Water molecules are not included.