3QUB

Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, glu47ala mutant complexed with sulfate

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	243	26949.8	1	UniProt (Q8A5V9) Pfam (PF13419) In PDB	Bacteroides thetaiotaomicron
2	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
3		water	water		18.0	191	Chemie (HOH)

Sequence modifications

A: 1 - 224 (UniProt: Q8A5V9)

PDB	External Database	Details
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ala 47	Glu 47	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	26949.8
Non-Polymers*	Number of molecules	1
	Total formula weight	96.1
All*	Total formula weight	27045.9

*Water molecules are not included.