5SCV

Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-889

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)	Dihydrofolate reductase	polymer	179	19832.4	2	UniProt (P9WNX1) Pfam (PF00186)	Mycobacterium tuberculosis H37Rv
2	C, F (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
3	D, G (A, B)	6-ethyl-5-(4-{3-[3-(1H-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine	non-polymer		412.5	2	Chemie (H4U)
4	E, H (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	I, J (A, B)	water	water		18.0	320	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	39664.7
Non-Polymers*	Number of molecules	6
	Total formula weight	2382.7
All*	Total formula weight	42047.4

*Water molecules are not included.