4RAC

Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents

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	Hypoxanthine-guanine phosphoribosyltransferase	polymer	217	24481.2	4	UniProt (P00492) Pfam (PF00156) In PDB	Homo sapiens (human)	HGPRT, HGPRTase
2	A, B, C, D	[(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid	non-polymer		438.3	4	Chemie (3L4)
3	A, B, C, D	MAGNESIUM ION	non-polymer		24.3	7	Chemie (MG)
4		water	water		18.0	222	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	97924.9
Non-Polymers*	Number of molecules	11
	Total formula weight	1923.2
All*	Total formula weight	99848.1

*Water molecules are not included.