9HYK

Crystal structure of Trypanosoma brucei trypanothione reductase (TbTR) bound to PROTAC-1

This is a non-PDB format compatible entry.

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)	Trypanothione reductase	polymer	495	53498.0	4	UniProt (Q389T8) Pfam (PF07992) Pfam (PF02852)	Trypanosoma brucei	N(1),N(8)-bis(glutathionyl)spermidine reductase
2	E, G, I, K (A, B, C, D)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	4	Chemie (FAD)
3	F, H, J, L (A, B, C, D)	N-(3-((S)-6-chloro-2-methyl-4-phenylquinazolin-3(4H)-yl)propyl)-2-(2-(2-((2-((3~{R})-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethoxy)acetamide	non-polymer		715.2	4	Chemie (A1IYC)
4	M, N, O, P (A, B, C, D)	water	water		18.0	500	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
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	213991.9
Non-Polymers*	Number of molecules	8
	Total formula weight	6003.0
All*	Total formula weight	219994.9

*Water molecules are not included.