9PT7

Structure of a P-loop mutant PTP-like myo-inositol phosphatase from Selenomonas ruminantium in complex with myo-inositol-(1,2,5,6)-tetrakisphosphate

This is a non-PDB format compatible entry.

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)	Myo-inositol hexaphosphate phosphohydrolase	polymer	340	38813.7	2	UniProt (Q7WUJ1)	Selenomonas ruminantium
2	C, G (A, B)	(1R,2R,3R,4S,5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)]	non-polymer		500.1	2	Chemie (A1CK8)
3	D, E, H, I (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
4	F (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA) PubChem (923)
5	J (B)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT) PubChem (175)
6	K, L (A, B)	water	water		18.0	907	Chemie (HOH)

Sequence modifications

A, B: 28 - 346 (UniProt: Q7WUJ1)

PDB	External Database	Details
Met 7	-	expression tag
Gly 8	-	expression tag
Ser 9	-	expression tag
Ser 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
Ser 17	-	expression tag
Ser 18	-	expression tag
Gly 19	-	expression tag
Leu 20	-	expression tag
Val 21	-	expression tag
Pro 22	-	expression tag
Ala 23	-	expression tag
Gly 24	-	expression tag
Ser 25	-	expression tag
His 26	-	expression tag
Met 27	-	expression tag
Ala 57	Arg 57	engineered mutation
Ser 252	Cys 252	engineered mutation
Arg 253	Glu 253	engineered mutation
Gly 254	Ala 254	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	77627.3
Non-Polymers*	Number of molecules	8
	Total formula weight	1330.5
All*	Total formula weight	78957.8

*Water molecules are not included.