3QU5

Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, asp11asn mutant

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)	INORGANIC PYROPHOSPHATASE	polymer	243	27006.9	2	UniProt (Q8A5V9) Pfam (PF13419)	Bacteroides thetaiotaomicron
2	C, D, E, F, G (A, B)	CHLORIDE ION	non-polymer		35.5	5	Chemie (CL)
3	H, I (A, B)	water	water		18.0	764	Chemie (HOH)

Sequence modifications

A, B: 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
Asn 11	Asp 11	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	54013.8
Non-Polymers*	Number of molecules	5
	Total formula weight	177.3
All*	Total formula weight	54191.0

*Water molecules are not included.