3X22

Crystal structure of Escherichia coli nitroreductase NfsB mutant N71S/F123A/F124W

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Oxygen-insensitive NAD(P)H nitroreductase	polymer	237	26044.5	2	UniProt (P38489) Pfam (PF00881) In PDB	Escherichia coli K-12	Dihydropteridine reductase, FMN-dependent nitroreductase
2	A, B	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	2	Chemie (FMN)
3		water	water		18.0	231	Chemie (HOH)

Sequence modifications

A, B: 1 - 217 (UniProt: P38489)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ser 71	Asn 71	engineered mutation
Ala 123	Phe 123	engineered mutation
Trp 124	Phe 124	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	52088.9
Non-Polymers*	Number of molecules	2
	Total formula weight	912.7
All*	Total formula weight	53001.6

*Water molecules are not included.