3BMQ

Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX5)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (A, D)	Pteridine reductase	polymer	288	30685.8	2	UniProt (O76290) Pfam (PF13561)	Trypanosoma brucei brucei
2	B, C (B, C)	Pteridine reductase	polymer	288	30669.8	2	UniProt (O76290) Pfam (PF13561)	Trypanosoma brucei brucei
3	E, I, M, Q (A, B, C, D)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	4	Chemie (NAP)
4	F, J, N, R (A, B, C, D)	6-(benzylsulfanyl)pyrimidine-2,4-diamine	non-polymer		232.3	4	Chemie (AX5)
5	G, S (A, D)	2,3-DIHYDROXY-1,4-DITHIOBUTANE	non-polymer		154.3	2	Chemie (DTT)
6	H, L (B, C)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
7	K, O, P (B, C)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
8	T, U, V, W (A, B, C, D)	water	water		18.0	1361	Chemie (HOH)

Sequence modifications

A, 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

B, C: 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	122711.2
Non-Polymers*	Number of molecules	15
	Total formula weight	4605.7
All*	Total formula weight	127316.9

*Water molecules are not included.