5U26

Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p218 Inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Dihydrofolate reductase	polymer	179	19832.4	1	UniProt (A0A0E8UVJ4) Pfam (PF00186) UniProt (by SIFTS) (P9WNX1) In PDB	Mycobacterium tuberculosis
2	A	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid	non-polymer		360.4	1	Chemie (MMV)
3	A	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	1	Chemie (NAP)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
6		water	water		18.0	124	Chemie (HOH)

Sequence modifications

A: 1 - 159 (UniProt: A0A0E8UVJ4)

PDB	External Database	Details
Met -19	-	initiating methionine
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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	19832.4
Non-Polymers*	Number of molecules	5
	Total formula weight	1358.0
All*	Total formula weight	21190.4

*Water molecules are not included.