4KYA

Crystal structure of non-classical TS inhibitor 3 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...	Bifunctional dihydrofolate reductase-thymidylate synthase	polymer	566	64214.3	8	UniProt (Q07422) Pfam (PF00186) Pfam (PF00303) In PDB	Toxoplasma gondii	DHFR-TS, Dihydrofolate reductase, Thymidylate synthase
2	F, G, A, H, B...	2'-DEOXYURIDINE 5'-MONOPHOSPHATE	non-polymer		308.2	8	Chemie (UMP)
3	F, G, A, H, B...	2-Amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one	non-polymer		358.4	8	Chemie (1UG)
4	E, F, G, A, H...	FOLIC ACID	non-polymer		441.4	8	Chemie (FOL)
5	E, F, G, A, H...	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	8	Chemie (NDP)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 48 (UniProt: Q07422)
A, B, C, D, E, F, G, H: 74 - 219 (UniProt: Q07422)
A, B, C, D, E, F, G, H: 220 - 610 (UniProt: Q07422)

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	513714.5
Non-Polymers*	Number of molecules	32
	Total formula weight	14827.3
All*	Total formula weight	528541.8

*Water molecules are not included.