4POM

Crystal structures of thioredoxin with mesna at 1.85A resolution

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)	Thioredoxin	polymer	109	12051.1	4	UniProt (P10599) Pfam (PF00085)	Homo sapiens (human)	Trx, ATL-derived factor, ADF, Surface-associated sulphydryl protein, SASP
2	E, F (A, B)	1-THIOETHANESULFONIC ACID	non-polymer		142.2	2	Chemie (COM)
3	G, H, I, J (A, B, C, D)	water	water		18.0	236	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 105 (UniProt: P10599)

PDB	External Database	Details
Gly -3	-	expression tag
Ala -2	-	expression tag
Gly -1	-	expression tag
Thr 0	-	expression tag
Lys 13	Glu 13	engineered mutation
Lys 16	Asp 16	engineered mutation
Lys 95	Glu 95	engineered mutation
Lys 103	Glu 103	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	48204.2
Non-Polymers*	Number of molecules	2
	Total formula weight	284.4
All*	Total formula weight	48488.6

*Water molecules are not included.