6WOE

Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with inositol hexakisphosphate and Mg, presoaked with 5-IP7, Mg and Fluoride, soaking 10min in the absence of Fluoride.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Diphosphoinositol polyphosphate phosphohydrolase 1	polymer	169	19542.9	1	UniProt (O95989) Pfam (PF00293) In PDB	Homo sapiens (Human)	DIPP-1,Diadenosine 5',5'''-P1,P6-hexaphosphate hydrolase 1,Nucleoside diphosphate-linked moiety X motif 3,Nudix motif 3
2	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
3	A	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	A	INOSITOL HEXAKISPHOSPHATE	non-polymer		660.0	1	Chemie (IHP)
5		water	water		18.0	173	Chemie (HOH)

Sequence modifications

A: 1 - 148 (UniProt: O95989)

PDB	External Database	Details
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Val -11	-	expression tag
Asp -10	-	expression tag
Leu -9	-	expression tag
Gly -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	19542.9
Non-Polymers*	Number of molecules	4
	Total formula weight	755.2
All*	Total formula weight	20298.2

*Water molecules are not included.