6AR9

Crystal structure of hypoxanthine-guanine-xanthine phosphorybosyltranferase in complex with [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]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, C, D, E, F (A, C, D, E, F)	Hypoxanthine-guanine phosphoribosyltransferase, putative	polymer	272	30655.0	5	UniProt (Q38CA1) Pfam (PF00156)	Trypanosoma brucei brucei (strain 927/4 GUTat10.1)
2	B (B)	Hypoxanthine-guanine phosphoribosyltransferase, putative	polymer	272	30639.0	1	UniProt (Q38CA1) Pfam (PF00156)	Trypanosoma brucei brucei (strain 927/4 GUTat10.1)
3	G, J, K, M, P... (A, B, C, D, E...)	[(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	6	Chemie (3L4)
4	H, I, L, N, O... (A, C, D, E)	MAGNESIUM ION	non-polymer		24.3	7	Chemie (MG)
5	T, U, V, W, X... (A, B, C, D, E...)	water	water		18.0	622	Chemie (HOH)

Sequence modifications

A, C, D, E, F: 2 - 234 (UniProt: Q38CA1)

PDB	External Database	Details
Met -37	-	expression tag
Gly -36	-	expression tag
Ser -35	-	expression tag
Ser -34	-	expression tag
His -33	-	expression tag
His -32	-	expression tag
His -31	-	expression tag
His -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
Asp -27	-	expression tag
Tyr -26	-	expression tag
Asp -25	-	expression tag
Ile -24	-	expression tag
Pro -23	-	expression tag
Thr -22	-	expression tag
Thr -21	-	expression tag
Glu -20	-	expression tag
Asn -19	-	expression tag
Leu -18	-	expression tag
Tyr -17	-	expression tag
Phe -16	-	expression tag
Gln -15	-	expression tag
Gly -14	-	expression tag
His -13	-	expression tag
Met -12	-	expression tag
Ala -11	-	expression tag
Ser -10	-	expression tag
Met -9	-	expression tag
Thr -8	-	expression tag
Gly -7	-	expression tag
Gly -6	-	expression tag
Gln -5	-	expression tag
Gln -4	-	expression tag
Met -3	-	expression tag
Gly -2	-	expression tag
Arg -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag

B: 2 - 234 (UniProt: Q38CA1)

PDB	External Database	Details
Met -37	-	expression tag
Gly -36	-	expression tag
Ser -35	-	expression tag
Ser -34	-	expression tag
His -33	-	expression tag
His -32	-	expression tag
His -31	-	expression tag
His -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
Asp -27	-	expression tag
Tyr -26	-	expression tag
Asp -25	-	expression tag
Ile -24	-	expression tag
Pro -23	-	expression tag
Thr -22	-	expression tag
Thr -21	-	expression tag
Glu -20	-	expression tag
Asn -19	-	expression tag
Leu -18	-	expression tag
Tyr -17	-	expression tag
Phe -16	-	expression tag
Gln -15	-	expression tag
Gly -14	-	expression tag
His -13	-	expression tag
Met -12	-	expression tag
Ala -11	-	expression tag
Ser -10	-	expression tag
Met -9	-	expression tag
Thr -8	-	expression tag
Gly -7	-	expression tag
Gly -6	-	expression tag
Gln -5	-	expression tag
Gln -4	-	expression tag
Met -3	-	expression tag
Gly -2	-	expression tag
Arg -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	183914.0
Non-Polymers*	Number of molecules	13
	Total formula weight	2799.8
All*	Total formula weight	186713.7

*Water molecules are not included.