6RX0

Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor 3 (NMT-C0013)

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	Pteridine reductase	polymer	288	30669.8	4	UniProt (O76290) Pfam (PF13561) In PDB	Trypanosoma brucei brucei
2	A, B, C, D	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	4	Chemie (NAP)
3	A	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
4	A, B, D	methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylpiperidine-4-carboxylate	non-polymer		464.5	3	Chemie (KM5)
5	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6		water	water		18.0	1064	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	4518.3
All*	Total formula weight	127197.5

*Water molecules are not included.