7N2W

The crystal structure of an FMN-dependent NADH-azoreductase, AzoA in complex with Red 40

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	FMN dependent NADH:quinone oxidoreductase	polymer	223	24257.5	4	UniProt (A6TCS9) Pfam (PF02525) In PDB	Klebsiella pneumoniae subsp. pneumoniae (strain ATCC 700721 / MGH 78578)	Azo-dye reductase,FMN-dependent NADH-azo compound oxidoreductase,FMN-dependent NADH-azoreductase
2	A, B, C, D	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	4	Chemie (FMN)
3	A, B, C	6-hydroxy-5-[(E)-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid	non-polymer		452.5	4	Chemie (05G)
4		water	water		18.0	44	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 201 (UniProt: A6TCS9)

PDB	External Database	Details
Met -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Val -11	-	expression tag
Asp -10	-	expression tag
Leu -9	-	expression tag
Gly -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	97030.0
Non-Polymers*	Number of molecules	8
	Total formula weight	3635.2
All*	Total formula weight	100665.3

*Water molecules are not included.