3QU4

Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, asp13ala 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, C, D, E... (A, B, C, D, E...)	INORGANIC PYROPHOSPHATASE	polymer	243	26963.9	8	UniProt (Q8A5V9) Pfam (PF13419)	Bacteroides thetaiotaomicron
2	I, L, N, P, S... (A, B, C, D, E...)	MAGNESIUM ION	non-polymer		24.3	8	Chemie (MG)
3	J, Q, Z (A, D, H)	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
4	AA, K, M, O, R... (H, A, B, C, D...)	CHLORIDE ION	non-polymer		35.5	8	Chemie (CL)
5	BA, CA, DA, EA, FA... (A, B, C, D, E...)	water	water		18.0	982	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 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 13	Asp 13	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	215710.9
Non-Polymers*	Number of molecules	19
	Total formula weight	655.2
All*	Total formula weight	216366.1

*Water molecules are not included.