8OF2

Trypanosoma brucei pteridine reductase 1 (TbPTR1) in complex with 2,4,6 triamminopyrimidine (TAP)

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) UniProt (by SIFTS) (Q581W1)	Trypanosoma brucei brucei
2	E, H, K, N (A, B, C, D)	PYRIMIDINE-2,4,6-TRIAMINE	non-polymer		125.1	4	Chemie (3AY)
3	F, G, J, M (A, B, C, D)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	4	Chemie (NDP)
4	I (B)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	L, O (C, D)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
6	P, Q, R, S (A, B, C, D)	water	water		18.0	1085	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	11
	Total formula weight	3662.4
All*	Total formula weight	126341.5

*Water molecules are not included.