5ECX

Klebsiella pneumoniae DfrA1 complexed with NADPH and 6-ethyl-5-(3-(6-(pyridin-4-yl)benzo[d][1,3]dioxol-4-yl)but-1-yn-1-yl)pyrimidine-2,4-diamine

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)	Dehydrofolate reductase type I	polymer	157	17592.0	2	UniProt (A4GRC7) Pfam (PF00186)	Klebsiella pneumoniae	DfrA1,Dihydrofolate reductase
2	C, E (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
3	D, F (A, B)	6-ethyl-5-[(3~{S})-3-(6-pyridin-4-yl-1,3-benzodioxol-4-yl)but-1-ynyl]pyrimidine-2,4-diamine	non-polymer		387.4	2	Chemie (5N1)
4	G (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	H (B)	GLYOXYLIC ACID	non-polymer		74.0	1	Chemie (GLV)
6	I, J (A, B)	water	water		18.0	74	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	35184.0
Non-Polymers*	Number of molecules	6
	Total formula weight	2427.8
All*	Total formula weight	37611.8

*Water molecules are not included.