5OHY

A GH31 family sulfoquinovosidase in complex with aza-sugar inhibitor IFGSQ

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 (A, B, C, D)	Alpha-glucosidase yihQ	polymer	672	75232.4	4	UniProt (A0A083ZKV2) Pfam (PF01055) Pfam (PF21365) UniProt (by SIFTS) (A9CEZ0)	Agrobacterium tumefaciens	alpha-sulfoquinovosidase
2	E, J, R, Z (A, B, C, D)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
3	AA, BA, CA, F, K... (D, A, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	10	Chemie (EDO)
4	G, N, O, V, W (A, B, C)	THIOCYANATE ION	non-polymer		58.1	5	Chemie (SCN)
5	DA, H, P, X (D, A, B, C)	[(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid	non-polymer		211.2	4	Chemie (9VH)
6	I, Q, Y (A, B, C)	PHOSPHATE ION	non-polymer		95.0	3	Chemie (PO4)
7	EA, FA, GA, HA (A, B, C, D)	water	water		18.0	1818	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 664 (UniProt: A0A083ZKV2)

PDB	External Database	Details
Ala 370	Glu 370	engineered mutation
Ala 371	Glu 371	engineered mutation
Leu 665	-	expression tag
Glu 666	-	expression tag
His 667	-	expression tag
His 668	-	expression tag
His 669	-	expression tag
His 670	-	expression tag
His 671	-	expression tag
His 672	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	300929.7
Non-Polymers*	Number of molecules	26
	Total formula weight	2197.3
All*	Total formula weight	303127.0

*Water molecules are not included.