3QFB

Crystal structure of the human thioredoxin reductase-thioredoxin complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Thioredoxin reductase 1, cytoplasmic	polymer	519	56925.8	2	UniProt (Q16881) Pfam (PF07992) Pfam (PF02852) In PDB	Homo sapiens (human)	TR, Gene associated with retinoic and interferon-induced mortality 12 protein, GRIM-12, Gene associated with retinoic and IFN-induced mortality 12 protein, KM-102-derived reductase-like factor, Thioredoxin reductase TR1
2	C, D	Thioredoxin	polymer	116	12992.7	2	UniProt (P10599) Pfam (PF00085) In PDB	Homo sapiens (human)	Trx, ATL-derived factor, ADF, Surface-associated sulphydryl protein, SASP
3	A, B	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
4	A, B	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
5		water	water		18.0	241	Chemie (HOH)

Sequence modifications

A, B: 1 - 499 (UniProt: Q16881)

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
Ser 497	Cys 497	engineered mutation
Cys 498	U 498	SEE REMARK 999

C, D: 2 - 105 (UniProt: P10599)

PDB	External Database	Details
Met -10	-	expression tag
Arg -9	-	expression tag
Gly -8	-	expression tag
Ser -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag
Ser 35	Cys 35	engineered mutation
Ser 73	Cys 73	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	139837.0
Non-Polymers*	Number of molecules	8
	Total formula weight	2123.7
All*	Total formula weight	141960.6

*Water molecules are not included.