4Z73

Crystal structure of inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with a phosphate ion and an inorganic pyrophosphate

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, E... (A, B, C, D, F...)	Inorganic pyrophosphatase	polymer	171	19454.9	12	UniProt (P9WI55) Pfam (PF00719)	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Pyrophosphate phospho-hydrolase,PPase
2	CA, DA, EA, GA, IA... (F, G, E, H, A...)	MANGANESE (II) ION	non-polymer		54.9	27	Chemie (MN)
3	AA, BA, FA, HA, LA... (D, F, G, E, H...)	PHOSPHATE ION	non-polymer		95.0	9	Chemie (PO4)
4	Q, SA, VA (B, K, L)	PYROPHOSPHATE 2-	non-polymer		176.0	3	Chemie (POP)
5	AB, BB, CB, DB, EB... (B, C, D, F, G...)	water	water		18.0	108	Chemie (HOH)

Sequence modifications

A, B, C, D, F, G, E, H, I, J, K, L: 1 - 162 (UniProt: P9WI55)

PDB	External Database	Details
Met -8	-	initiating methionine
Ala -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
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	233458.4
Non-Polymers*	Number of molecules	39
	Total formula weight	2865.9
All*	Total formula weight	236324.3

*Water molecules are not included.