6RB5

Trypanothione reductase in complex with 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide

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	512	55387.0	2	UniProt (Q389T8) Pfam (PF07992) Pfam (PF02852)	Trypanosoma brucei
2	C, N (A, B)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
3	D, E, F, G, H... (A, B)	SULFATE ION	non-polymer		96.1	10	Chemie (SO4)
4	J, K, S, T (A, B)	4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide	non-polymer		607.9	4	Chemie (JWZ)
5	L, M, U, V, W... (A, B)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
6	Y, Z (A, B)	water	water		18.0	487	Chemie (HOH)

Sequence modifications

A, B: 1 - 492 (UniProt: Q389T8)

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	110774.1
Non-Polymers*	Number of molecules	22
	Total formula weight	5515.8
All*	Total formula weight	116289.9

*Water molecules are not included.