5KDF

Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 6 and 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	Inorganic pyrophosphatase	polymer	171	19454.9	1	UniProt (P9WI55) Pfam (PF00719) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Pyrophosphate phospho-hydrolase,PPase
2	A	~{N}2,~{N}2,~{N}4,~{N}4-tetramethyl-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine-2,4-diamine	non-polymer		308.4	1	Chemie (6RU)
3	A	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
4	A	PYROPHOSPHATE 2-	non-polymer		176.0	1	Chemie (POP)
5		water	water		18.0	27	Chemie (HOH)

Sequence modifications

A: 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	1
	Total formula weight	19454.9
Non-Polymers*	Number of molecules	5
	Total formula weight	604.6
All*	Total formula weight	20059.4

*Water molecules are not included.