2YHU

Trypanosoma brucei PTR1 in complex with inhibitor WHF30

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	30685.8	4	UniProt (O76290) Pfam (PF13561)	TRYPANOSOMA BRUCEI	PTR1
2	E, G, J, L (A, B, C, D)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	4	Chemie (NDP)
3	F, H, K, M (A, B, C, D)	3-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1-THIOPHEN-2-YLPROPAN-1-ONE	non-polymer		239.3	4	Chemie (WHF)
4	I, N (B, D)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
5	O, P, Q, R (A, B, C, D)	water	water		18.0	372	Chemie (HOH)

Sequence modifications

A, B, C, 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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	122743.1
Non-Polymers*	Number of molecules	10
	Total formula weight	4057.0
All*	Total formula weight	126800.2

*Water molecules are not included.