3QYP

Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, glu47asn mutant complexed with calcium and phosphate

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	26992.9	2	UniProt (Q8A5V9) Pfam (PF13419)	Bacteroides thetaiotaomicron	PUTATIVE BETA-PHOSPHOGLUCOMUTASE
2	C, G (A, B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
3	D, F, H (A, B)	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
4	E (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	I (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	J (B)	UNKNOWN LIGAND	non-polymer			1	Chemie (UNL)
7	K, L (A, B)	water	water		18.0	467	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 47	Glu 47	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	53985.7
Non-Polymers*	Number of molecules	8
	Total formula weight	437.7
All*	Total formula weight	54423.4

*Water molecules are not included.