9UU6

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, B (A, B)	Putative flavin-binding monooxygenase	polymer	548	61897.0	2	UniProt (A0A0A8XFY0)	Acinetobacter calcoaceticus
2	C, E (A, B)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
3	D, F (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
4	G, H (A, B)	water	water		18.0	1095	Chemie (HOH)

Sequence modifications

A, B: 1 - 548 (UniProt: A0A0A8XFY0)

PDB	External Database	Details
Tyr 55	Leu 55	conflict
Gly 70	Glu 70	engineered mutation
Lys 123	Asn 123	engineered mutation
Lys 128	Asn 128	engineered mutation
Leu 133	Thr 133	engineered mutation
Pro 143	Leu 143	engineered mutation
Ser 145	Ala 145	engineered mutation
Ser 146	Ala 146	engineered mutation
Trp 149	Leu 149	engineered mutation
Ile 151	Lys 151	engineered mutation
Tyr 246	Phe 246	engineered mutation
Leu 277	Phe 277	conflict
Cys 326	Lys 326	engineered mutation
Val 337	Ile 337	conflict
Ser 386	Asn 386	engineered mutation
Lys 388	Ile 388	engineered mutation
Ile 390	Met 390	engineered mutation
Tyr 403	His 403	conflict
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
Ser 497	Pro 497	conflict
Leu 505	Phe 505	engineered mutation
Arg 526	Lys 526	engineered mutation
Phe 534	-	insertion
Ala 535	-	insertion
Asp 536	-	insertion
Asn 537	-	insertion
Ala 538	-	insertion
Pro 539	-	insertion

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	123793.9
Non-Polymers*	Number of molecules	4
	Total formula weight	3057.9
All*	Total formula weight	126851.8

*Water molecules are not included.