9QYW

MINPP1 from Bacteroides thetaiotaomicron R275W mutant complex with myo-inositol hexakissulfate

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)	Multiple inositol polyphosphate phosphatase 1	polymer	426	49232.4	2	UniProt (Q89YI8) Pfam (PF00328)	Bacteroides thetaiotaomicron VPI-5482	2,3-bisphosphoglycerate 3-phosphatase
2	C, D, E, F (A, B)	D-MYO-INOSITOL-HEXASULPHATE	non-polymer		660.5	4	Chemie (IHS)
3	G, H (A, B)	water	water		18.0	618	Chemie (HOH)

Sequence modifications

A, B: 21 - 425 (UniProt: Q89YI8)

PDB	External Database	Details
Met 0	-	initiating methionine
Gly 1	-	expression tag
Ser 2	-	expression tag
Ser 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
Ser 10	-	expression tag
Ser 11	-	expression tag
Gly 12	-	expression tag
Leu 13	-	expression tag
Val 14	-	expression tag
Pro 15	-	expression tag
Arg 16	-	expression tag
Gly 17	-	expression tag
Ser 18	-	expression tag
His 19	-	expression tag
Met 20	-	expression tag
Trp 275	Arg 275	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	98464.9
Non-Polymers*	Number of molecules	4
	Total formula weight	2642.1
All*	Total formula weight	101107.0

*Water molecules are not included.