3BEM

Crystal structure of putative nitroreductase ydfN (2632848) from Bacillus subtilis at 1.65 A resolution

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)	Putative NAD(P)H nitroreductase ydfN	polymer	218	25392.2	2	UniProt (P96692) Pfam (PF00881)	Bacillus subtilis
2	C (A)	NICKEL (II) ION	non-polymer		58.7	1	Chemie (NI)
3	D (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
4	E, G (A, B)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	2	Chemie (FMN)
5	F, H (A, B)	S-1,2-PROPANEDIOL	non-polymer		76.1	2	Chemie (PGO)
6	I, J (A, B)	water	water		18.0	335	Chemie (HOH)

Sequence modifications

A, B: 1 - 206 (UniProt: P96692)

PDB	External Database	Details
Mse -11	-	expression tag
Gly -10	-	expression tag
Ser -9	-	expression tag
Asp -8	-	expression tag
Lys -7	-	expression tag
Ile -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Ala 147	Lys 147	engineered mutation
Ala 148	Glu 148	engineered mutation
Ala 149	Lys 149	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	50784.3
Non-Polymers*	Number of molecules	6
	Total formula weight	1182.6
All*	Total formula weight	51966.9

*Water molecules are not included.