8AM6

Cyclohexanone dehydrogenase (CDH) from Alicycliphilus denitrificans K601 complexed with dehydrogenated substrate cyclohex-2-en-1-one - inactive mutant (Y195F)

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (AAA, BaB)	Fumarate reductase/succinate dehydrogenase flavoprotein domain protein	polymer	598	64553.6	2	UniProt (F4G7N3) Pfam (PF00890)	Alicycliphilus denitrificans K601
2	C, Z (AAA, BaB)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
3	AA, BA, CA, D, DA... (BaB, AAA)	cyclohex-2-en-1-one	non-polymer		96.1	8	Chemie (A2Q)
4	EA, FA, GA, H, HA... (BaB, AAA)	GLYCEROL	non-polymer		92.1	27	Chemie (GOL)
5	RA, SA, TA, UA, V... (BaB, AAA)	SULFATE ION	non-polymer		96.1	9	Chemie (SO4)
6	WA, XA (AAA, BaB)	water	water		18.0	1292	Chemie (HOH)

Sequence modifications

AAA, BaB: 21 - 598 (UniProt: F4G7N3)

PDB	External Database	Details
Met 1	-	initiating methionine
Gly 2	-	expression tag
Ser 3	-	expression tag
Ser 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
Ser 11	-	expression tag
Ser 12	-	expression tag
Gly 13	-	expression tag
Leu 14	-	expression tag
Val 15	-	expression tag
Pro 16	-	expression tag
Arg 17	-	expression tag
Gly 18	-	expression tag
Ser 19	-	expression tag
His 20	-	expression tag
Phe 195	Tyr 176	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	129107.2
Non-Polymers*	Number of molecules	46
	Total formula weight	5691.2
All*	Total formula weight	134798.4

*Water molecules are not included.