6GEX

Trypanosoma brucei PTR1 in complex with inhibitor 2h (F246)

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) Pfam (PF13561)	Trypanosoma brucei brucei
2	E, H, K, M (A, B, C, D)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	4	Chemie (NAP)
3	F, I, N (A, B, D)	4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide	non-polymer		405.5	3	Chemie (EWK)
4	G, L (A, C)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
5	J (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	O, P, Q, R (A, B, C, D)	water	water		18.0	661	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	10
	Total formula weight	4400.4
All*	Total formula weight	127079.6

*Water molecules are not included.