2Q16

Structure of the E. coli inosine triphosphate pyrophosphatase RgdB in complex with ITP

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)	HAM1 protein homolog	polymer	219	23476.0	2	UniProt (P52061) Pfam (PF01725)	Escherichia coli
2	C, I (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	D, E, F, J, K (A, B)	SODIUM ION	non-polymer		23.0	5	Chemie (NA)
4	G (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
5	H, L (A, B)	INOSINE 5'-TRIPHOSPHATE	non-polymer		508.2	2	Chemie (ITT)
6	M, N (A, B)	water	water		18.0	410	Chemie (HOH)

Sequence modifications

A, B: 1 - 197 (UniProt: P52061)

PDB	External Database	Details
Mse -19	-	expression tag
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	-	SEE REMARK 999
Val -5	-	SEE REMARK 999
Pro -4	-	SEE REMARK 999
Arg -3	-	SEE REMARK 999
Gly -2	-	SEE REMARK 999
Ser -1	-	SEE REMARK 999
His 0	-	expression tag
Mse 1	Met 1	modified residue
Ala 69	Asp 69	engineered mutation
Mse 106	Met 106	modified residue
Gly 198	-	expression tag
Ser 199	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	46952.0
Non-Polymers*	Number of molecules	10
	Total formula weight	1307.5
All*	Total formula weight	48259.5

*Water molecules are not included.