2X9N

High resolution structure of TbPTR1 in complex with cyromazine

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)	PTERIDINE REDUCTASE	polymer	288	30669.8	4	UniProt (O76290) Pfam (PF13561)	TRYPANOSOMA BRUCEI BRUCEI	PTR1
2	E, I, L, P (A, B, C, D)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	4	Chemie (NAP)
3	F, J, M, Q (A, B, C, D)	N~2~-cyclopropyl-1,3,5-triazine-2,4,6-triamine	non-polymer		166.2	4	Chemie (AX3)
4	G, N (A, C)	DITHIANE DIOL	non-polymer		152.2	2	Chemie (DTD)
5	H, S (A, D)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
6	K, R (B, D)	(4S,5S)-1,2-DITHIANE-4,5-DIOL	non-polymer		152.2	2	Chemie (D1D)
7	O (C)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
8	T, U, V, W (A, B, C, D)	water	water		18.0	1382	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 268 (UniProt: O76290)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -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	122679.2
Non-Polymers*	Number of molecules	15
	Total formula weight	4352.3
All*	Total formula weight	127031.5

*Water molecules are not included.