3X21

Crystal structure of Escherichia coli nitroreductase NfsB mutant T41L/N71S/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, C, D, E... (A, B, C, D, E...)	Oxygen-insensitive NAD(P)H nitroreductase	polymer	237	26132.6	10	UniProt (P38489) Pfam (PF00881)	Escherichia coli K-12	Dihydropteridine reductase, FMN-dependent nitroreductase
2	K, L, M, N, O... (A, B, C, D, E...)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	10	Chemie (FMN)
3	U, V, W, X (B, D, G, H)	water	water		18.0	6	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J: 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
Leu 41	Thr 41	engineered mutation
Ser 71	Asn 71	engineered mutation
Trp 124	Phe 124	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	261326.2
Non-Polymers*	Number of molecules	10
	Total formula weight	4563.4
All*	Total formula weight	265889.6

*Water molecules are not included.