9EXV

Broad substrate scope C-C oxidation in cyclodipeptides catalysed by a flavin-dependent filament

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)	Nitroreductase	polymer	198	21234.2	2	UniProt (D7B1W6) Pfam (PF00881)	Nocardiopsis dassonvillei
2	C, D, E, F (C, D, E, F)	AlbB	polymer	105	11460.0	4	UniProt (D7B1W7) Pfam (PF19585)	Nocardiopsis dassonvillei
3	G, H (B)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	2	Chemie (FMN)

Sequence modifications

A, B: 40 - 195 (UniProt: D7B1W6)

PDB	External Database	Details
Met 1	-	initiating methionine
Asp 2	-	expression tag
Thr 3	-	expression tag
Gly 4	-	expression tag
Ser 5	-	expression tag
Ser 6	-	expression tag
Glu 7	-	expression tag
Pro 8	-	expression tag
Asp 9	-	expression tag
Ala 10	-	expression tag
Asn 11	-	expression tag
Arg 12	-	expression tag
Cys 13	-	expression tag
Pro 14	-	expression tag
Ser 15	-	expression tag
Gln 16	-	expression tag
Arg 17	-	expression tag
Ser 18	-	expression tag
Ser 19	-	expression tag
His 20	-	expression tag
Ala 21	-	expression tag
Leu 22	-	expression tag
Gln 23	-	expression tag
Thr 24	-	expression tag
Leu 25	-	expression tag
Thr 26	-	expression tag
Thr 27	-	expression tag
Arg 28	-	expression tag
Arg 29	-	expression tag
Ala 30	-	expression tag
Val 31	-	expression tag
Arg 32	-	expression tag
Ala 33	-	expression tag
Phe 34	-	expression tag
Ala 35	-	expression tag
Asp 36	-	expression tag
Arg 37	-	expression tag
Pro 38	-	expression tag
Val 39	-	expression tag
Gly 196	-	expression tag
Ser 197	-	expression tag
Ser 198	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	88308.4
Non-Polymers*	Number of molecules	2
	Total formula weight	912.7
All*	Total formula weight	89221.1

*Water molecules are not included.