4KNE

Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in complex with cycloguanil

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	179	19832.4	2	UniProt (P0A546) Pfam (PF00186) UniProt (by SIFTS) (P9WNX1) In PDB	Mycobacterium tuberculosis
2	A, B	1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine	non-polymer		251.7	2	Chemie (1CY)
3	A, B	2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE	non-polymer		507.2	2	Chemie (ATR)
4		water	water		18.0	430	Chemie (HOH)

Sequence modifications

A, B: 1 - 159 (UniProt: P0A546)

PDB	External Database	Details
Met -19	-	expression tag
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	4
	Total formula weight	1517.8
All*	Total formula weight	41182.5

*Water molecules are not included.