5SD0

Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1225

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 (P9WNX1) Pfam (PF00186) In PDB	Mycobacterium tuberculosis H37Rv
2	A	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	1	Chemie (NAP)
3	A	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol	non-polymer		347.4	1	Chemie (HIK)
4	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	A	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
6	A	FORMIC ACID	non-polymer		46.0	1	Chemie (FMT)
7		water	water		18.0	184	Chemie (HOH)

Sequence modifications

A: 1 - 159 (UniProt: P9WNX1)

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	8
	Total formula weight	1420.6
All*	Total formula weight	21252.9

*Water molecules are not included.