4KY4

Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondii TS-DHFR

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Bifunctional dihydrofolate reductase-thymidylate synthase	polymer	610	68842.7	8	UniProt (Q07422)	Toxoplasma gondii	DHFR-TS, Dihydrofolate reductase, Thymidylate synthase
2	CA, GA, I, KA, M... (F, G, A, H, B...)	2'-DEOXYURIDINE 5'-MONOPHOSPHATE	non-polymer		308.2	8	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	DA, HA, J, LA, N... (F, G, A, H, B...)	Aminopterin	non-polymer		440.4	8	Chemie (04J) PubChem (2154) PubChem (3032277) PubChem (169371)
4	AA, EA, IA, K, MA... (E, F, G, A, H...)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	8	Chemie (NDP)
5	BA, FA, JA, L, NA... (E, F, G, A, H...)	2-amino-5-(phenylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one	non-polymer		308.4	8	Chemie (1UE)

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	550741.2
Non-Polymers*	Number of molecules	32
	Total formula weight	14419.0
All*	Total formula weight	565160.2

*Water molecules are not included.