3IA1

Crystal structure of thio-disulfide isomerase from Thermus thermophilus

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)	Thio-disulfide isomerase/thioredoxin	polymer	154	17206.9	2	UniProt (Q72GM6) Pfam (PF00578)	Thermus thermophilus
2	C, D (A, B)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
3	E, F (A, B)	water	water		18.0	334	Chemie (HOH)

Sequence modifications

A, B: 17 - 160 (UniProt: Q72GM6)

PDB	External Database	Details
Met 15	-	expression tag
Ser 16	-	expression tag
Pro 26	Leu 26	engineered mutation
Val 43	Met 43	engineered mutation
Glu 161	-	expression tag
Gly 162	-	expression tag
His 163	-	expression tag
His 164	-	expression tag
His 165	-	expression tag
His 166	-	expression tag
His 167	-	expression tag
His 168	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	34413.8
Non-Polymers*	Number of molecules	2
	Total formula weight	118.1
All*	Total formula weight	34531.9

*Water molecules are not included.