3UCL

Cyclohexanone-bound crystal structure of cyclohexanone monooxygenase in the Rotated conformation

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Cyclohexanone monooxygenase	polymer	573	63876.9	1	UniProt (C0STX7) Pfam (PF00743)	Rhodococcus sp. HI-31
2	B (A)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	1	Chemie (FAD)
3	C (A)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	1	Chemie (NAP)
4	D (A)	CYCLOHEXANONE	non-polymer		98.1	1	Chemie (CYH)
5	E (A)	water	water		18.0	121	Chemie (HOH)

Sequence modifications

A: 1 - 540 (UniProt: C0STX7)

PDB	External Database	Details
Met -32	-	expression tag
Gly -31	-	expression tag
Ser -30	-	expression tag
Ser -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
His -26	-	expression tag
His -25	-	expression tag
His -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
Asp -20	-	expression tag
Tyr -19	-	expression tag
Asp -18	-	expression tag
Ile -17	-	expression tag
Pro -16	-	expression tag
Thr -15	-	expression tag
Thr -14	-	expression tag
Glu -13	-	expression tag
Asn -12	-	expression tag
Leu -11	-	expression tag
Tyr -10	-	expression tag
Phe -9	-	expression tag
Gln -8	-	expression tag
Gly -7	-	expression tag
Ser -6	-	expression tag
Leu -5	-	expression tag
Glu -4	-	expression tag
Ala -3	-	expression tag
Ser -2	-	expression tag
Met -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	63876.9
Non-Polymers*	Number of molecules	3
	Total formula weight	1627.1
All*	Total formula weight	65504.0

*Water molecules are not included.