5EBK

Trypanothione reductase in complex with 6-(sec-butoxy)-2-((3-chlorophenyl)thio)pyrimidin-4-amine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Trypanothione reductase	polymer	511	55257.5	2	UniProt (A4HSF7) Pfam (PF07992) Pfam (PF02852)	Leishmania infantum
2	C, I (A, B)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
3	D, E, F, H, J... (A, B)	6-sec-Butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine	non-polymer		309.8	7	Chemie (RDS)
4	G (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)

Sequence modifications

A, B: 1 - 491 (UniProt: A4HSF7)

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	2
	Total formula weight	110515.1
Non-Polymers*	Number of molecules	10
	Total formula weight	3835.9
All*	Total formula weight	114351.0

*Water molecules are not included.