3QU2

Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, a closed cap conformation

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 (A, B, C, D)	INORGANIC PYROPHOSPHATASE	polymer	243	27007.9	4	UniProt (Q8A5V9) Pfam (PF13419)	Bacteroides thetaiotaomicron
2	E, H, L, O (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
3	F, I, J, M, N... (A, B, C, D)	GLYCEROL	non-polymer		92.1	8	Chemie (GOL)
4	G (A)	CITRIC ACID	non-polymer		192.1	1	Chemie (CIT)
5	K (B)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	S, T, U, V (A, B, C, D)	water	water		18.0	649	Chemie (HOH)

Sequence modifications

A, B, C, D: 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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	108031.5
Non-Polymers*	Number of molecules	14
	Total formula weight	1061.5
All*	Total formula weight	109093.0

*Water molecules are not included.