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	Pteridine reductase	polymer	288	30685.8	2	UniProt (O76290) Pfam (PF13561) In PDB	Trypanosoma brucei brucei
2	B, C	Pteridine reductase	polymer	288	30669.8	2	UniProt (O76290) Pfam (PF13561) In PDB	Trypanosoma brucei brucei
3	A, B, C, D	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	4	Chemie (NAP)
4	A, B, C, D	6-(benzylsulfanyl)pyrimidine-2,4-diamine	non-polymer		232.3	4	Chemie (AX5)
5	A, D	2,3-DIHYDROXY-1,4-DITHIOBUTANE	non-polymer		154.3	2	Chemie (DTT)
6	B, C	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
7	B, C	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
8		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.