6AOH

Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF, and 5-(4-(3-(2-methoxypyrimidin-5-yl)phenyl)piperazin-1-yl)pyrimidine-2,4-diamine (TRC-2533)

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)	Bifunctional dihydrofolate reductase-thymidylate synthase	polymer	566	64214.3	2	UniProt (Q07422)	Toxoplasma gondii	DHFR-TS
2	C, G (A, B)	2'-DEOXYURIDINE 5'-MONOPHOSPHATE	non-polymer		308.2	2	Chemie (UMP) PubChem (688) PubChem (65063) PubChem (446899) PubChem (446900) PubChem (57164254) PubChem (71773959) PubChem (92144438) PubChem (92209480) PubChem (92209481) PubChem (92209482) PubChem (92449733) PubChem (133126534)
3	D, H (A, B)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
4	E, I (A, B)	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	non-polymer		477.5	2	Chemie (CB3)
5	F, J (A, B)	5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine	non-polymer		378.4	2	Chemie (BOD) PubChem (134812633)

Sequence modifications

A, B: 1 - 72 (UniProt: Q07422)
A, B: 73 - 219 (UniProt: Q07422)
A, B: 220 - 610 (UniProt: Q07422)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	128428.6
Non-Polymers*	Number of molecules	8
	Total formula weight	3819.0
All*	Total formula weight	132247.6

*Water molecules are not included.