3H4O

Crystal structure of a nitroreductase family protein (cd3355) from clostridium difficile 630 at 1.50 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 (A)	NITROREDUCTASE FAMILY PROTEIN	polymer	191	22310.7	1	UniProt (Q180K0) Pfam (PF00881)	Clostridium difficile 630
2	B (A)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	1	Chemie (FMN)
3	C (A)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
4	D (A)	(4R)-2-METHYLPENTANE-2,4-DIOL	non-polymer		118.2	1	Chemie (MRD)
5	E (A)	water	water		18.0	294	Chemie (HOH)

Sequence modifications

A: 1 - 172 (UniProt: Q180K0)

PDB	External Database	Details
Mse -18	-	expression tag
Gly -17	-	expression tag
Ser -16	-	expression tag
Asp -15	-	expression tag
Lys -14	-	expression tag
Ile -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -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
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	22310.7
Non-Polymers*	Number of molecules	3
	Total formula weight	692.7
All*	Total formula weight	23003.4

*Water molecules are not included.