4RAN

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](3-aminopropyl)amino}ethyl)phosphonic acid	non-polymer		359.3	4	Chemie (3L6)
3	A, B, C, D	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4		water	water		18.0	24	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	97924.9
Non-Polymers*	Number of molecules	8
	Total formula weight	1534.5
All*	Total formula weight	99459.4

*Water molecules are not included.