6RX5

Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor 1 (NMT-C0003)

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, K, L (A, B, C, D)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	4	Chemie (NAP) PubChem (5885) PubChem (46936685) PubChem (4412) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (71717786) PubChem (165382010)
3	F, J, M (A, B, D)	METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE	non-polymer		450.5	3	Chemie (FE1) PubChem (23629645)
4	G (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL) PubChem (753)
5	H (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT) PubChem (175)
6	N, O, P, Q (A, B, C, D)	water	water		18.0	904	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	9
	Total formula weight	4476.2
All*	Total formula weight	127155.4

*Water molecules are not included.