7K62

Crystal Structure of Dihydrofolate reductase from Mycobacterium kansasii in complex with NADP and inhibitor P218

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Dihydrofolate reductase	polymer	167	18737.0	2	UniProt (A0A1V3XYG5) Pfam (PF00186) UniProt (by SIFTS) (A0A653EQ34) In PDB	Mycobacterium kansasii
2	A, B	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
3	A, B	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid	non-polymer		360.4	2	Chemie (MMV)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5		water	water		18.0	94	Chemie (HOH)

Sequence modifications

A, B: 2 - 158 (UniProt: A0A1V3XYG5)

PDB	External Database	Details
Met -8	-	initiating methionine
Ala -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag
Val 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	37474.0
Non-Polymers*	Number of molecules	6
	Total formula weight	2331.8
All*	Total formula weight	39805.8

*Water molecules are not included.