8A1R

cryo-EM structure of thioredoxin glutathione reductase in complex with a non-competitive inhibitor

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)	Thioredoxin glutathione reductase	polymer	598	65061.1	2	UniProt (Q962Y6)	Schistosoma mansoni
2	C, E (A, B)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
3	D, F (A, B)	(2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol	non-polymer		414.5	2	Chemie (KW2)

Sequence modifications

A, B: 1 - 598 (UniProt: Q962Y6)

PDB	External Database	Details
Cys 597	Unk 597	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	130122.3
Non-Polymers*	Number of molecules	4
	Total formula weight	2400.2
All*	Total formula weight	132522.5

*Water molecules are not included.