7TUX

Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with [(3S)-4-Hydroxy-3-[({2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)amino]butyl]phosphonic acid

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 (A, B, C, D)	Hypoxanthine-guanine-xanthine phosphoribosyltransferase	polymer	250	28410.7	4	UniProt (P20035) Pfam (PF00156)	Plasmodium falciparum (malaria parasite P. falciparum)	HGPRT,HGXPRT,HGXPRTase
2	E, HA, R, WA (A, C, B, D)	[(3S)-3-{[(2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}-4-hydroxybutyl]phosphonic acid	non-polymer		331.3	4	Chemie (YBM)
3	F, IA, S, XA (A, C, B, D)	PYROPHOSPHATE 2-	non-polymer		176.0	4	Chemie (POP)
4	G, JA, T, YA (A, C, B, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	AA, AB, BA, BB, CA... (B, D, A, C)	1,2-ETHANEDIOL	non-polymer		62.1	36	Chemie (EDO)
6	EB, FB, GA, Q, UA... (D, B, A, C)	ACETIC ACID	non-polymer		60.1	6	Chemie (ACY)
7	GB, HB, IB, JB (A, B, C, D)	water	water		18.0	771	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 231 (UniProt: P20035)

PDB	External Database	Details
Met -18	-	initiating methionine
Gly -17	-	expression tag
Gly -16	-	expression tag
Ser -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Gly -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	113642.8
Non-Polymers*	Number of molecules	54
	Total formula weight	4720.9
All*	Total formula weight	118363.7

*Water molecules are not included.