5ID2

Asymmetry in the active site of Mycobacterium tuberculosis AhpE upon exposure to Mycothiol

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (A, D)	Putative peroxiredoxin Rv2238c	polymer	164	18266.6	2	UniProt (P9WIE3) Pfam (PF00578)	Mycobacterium tuberculosis H37Rv	Thioredoxin reductase
2	B, C (B, C)	Putative peroxiredoxin Rv2238c	polymer	164	18250.6	2	UniProt (P9WIE3) Pfam (PF00578)	Mycobacterium tuberculosis H37Rv	Thioredoxin reductase
3	E, G (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	F (B)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
5	H, I, J, K (A, B, C, D)	water	water		18.0	230	Chemie (HOH)

Sequence modifications

A, D: 1 - 153 (UniProt: P9WIE3)

PDB	External Database	Details
Met -10	-	expression tag
Lys -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
Pro -2	-	expression tag
Met -1	-	expression tag
Val 0	-	expression tag

B, C: 1 - 153 (UniProt: P9WIE3)

PDB	External Database	Details
Met -10	-	expression tag
Lys -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
Pro -2	-	expression tag
Met -1	-	expression tag
Val 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	73034.6
Non-Polymers*	Number of molecules	3
	Total formula weight	243.2
All*	Total formula weight	73277.8

*Water molecules are not included.