9QDK

Trypanosoma brucei PTR1 in complex with fragment L330 and compound F46

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)	Trypanosoma brucei brucei
2	E, I, N, Q (A, B, C, D)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	4	Chemie (NDP)
3	F, J, O, R (A, B, C, D)	2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one	non-polymer		150.1	4	Chemie (QY8)
4	G, K, P, S (A, B, C, D)	1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine	non-polymer		292.2	4	Chemie (AX8) PubChem (887666)
5	H, L (A, B)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT) PubChem (175)
6	M (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL) PubChem (753)
7	T, U, V, W (A, B, C, D)	water	water		18.0	627	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -19	-	initiating methionine
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	4961.1
All*	Total formula weight	127640.2

*Water molecules are not included.