3HY2

Crystal Structure of Sulfiredoxin in Complex with Peroxiredoxin I and ATP:Mg2+

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)	Peroxiredoxin-1	polymer	206	23063.1	2	UniProt (Q06830) Pfam (PF00578) Pfam (PF10417)	Homo sapiens (human)	Thioredoxin peroxidase 2, Thioredoxin-dependent peroxide reductase 2, Proliferation-associated gene protein, PAG, Natural killer cell-enhancing factor A, NKEF-A
2	C, D (X, Y)	Sulfiredoxin-1	polymer	110	11991.7	2	UniProt (Q9BYN0)	Homo sapiens (human)
3	E, F (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	G, H (X, Y)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	2	Chemie (ATP)
5	I, J, K, L (A, B, X, Y)	water	water		18.0	321	Chemie (HOH)

Sequence modifications

A, B: 1 - 199 (UniProt: Q06830)

PDB	External Database	Details
Asp 52	Cys 52	engineered mutation
Ser 71	Cys 71	engineered mutation
Glu 83	Cys 83	engineered mutation
Glu 86	Ala 86	engineered mutation
Ser 173	Cys 173	engineered mutation
Cys 185	Lys 185	engineered mutation
Gly 200	-	expression tag
His 201	-	expression tag
His 202	-	expression tag
His 203	-	expression tag
His 204	-	expression tag
His 205	-	expression tag
His 206	-	expression tag

X, Y: 32 - 137 (UniProt: Q9BYN0)

PDB	External Database	Details
Gly 28	-	expression tag
His 29	-	expression tag
Pro 30	-	expression tag
Met 31	-	expression tag
Cys 43	Asn 43	engineered mutation
Ala 99	Cys 99	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	70109.4
Non-Polymers*	Number of molecules	4
	Total formula weight	1063.0
All*	Total formula weight	71172.4

*Water molecules are not included.