6GCL

Trypanosoma brucei PTR1 in complex with inhibitor 3a (F020)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, D	Pteridine reductase	polymer	288	30669.8	3	UniProt (O76290) Pfam (PF13561) In PDB	Trypanosoma brucei brucei
2	C	Pteridine reductase	polymer	288	30717.8	1	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-methylsulfonyl-1,3-benzothiazol-2-amine	non-polymer		228.3	4	Chemie (EUE)
5		water	water		18.0	461	Chemie (HOH)

Sequence modifications

A, B, 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

C: 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	122727.2
Non-Polymers*	Number of molecules	8
	Total formula weight	3886.8
All*	Total formula weight	126613.9

*Water molecules are not included.