5U27

Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p65 Inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Dihydrofolate reductase	polymer	179	19832.4	1	UniProt (A0A0E8UVJ4) Pfam (PF00186) UniProt (by SIFTS) (P9WNX1)	Mycobacterium tuberculosis
2	B (A)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	1	Chemie (NAP)
3	C, D, E (A)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
4	F (A)	2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine	non-polymer		377.7	1	Chemie (P65)
5	G (A)	water	water		18.0	120	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	1307.3
All*	Total formula weight	21139.6

*Water molecules are not included.