3K2H

Co-crystal structure of dihydrofolate reductase/thymidylate synthase from Babesia bovis with dUMP, Pemetrexed and NADP

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)	Dihydrofolate reductase/thymidylate synthase	polymer	511	58283.7	2	UniProt (A7ASX7) Pfam (PF00186) Pfam (PF00303)	Babesia bovis
2	C, J (A, B)	2'-DEOXYURIDINE 5'-MONOPHOSPHATE	non-polymer		308.2	2	Chemie (UMP)
3	D, E, K, L (A, B)	2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID	non-polymer		427.4	4	Chemie (LYA)
4	F, M (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
5	G, H, I, N, O (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
6	P, Q (A, B)	water	water		18.0	727	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	116567.3
Non-Polymers*	Number of molecules	13
	Total formula weight	4123.2
All*	Total formula weight	120690.5

*Water molecules are not included.