8R56

Crystal structure of GH31 family Sulfoquinovosidase BmSQase in covalent complex with SQ-aziridine (SQZ)

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)	Glycosyl hydrolase, family 31	polymer	699	80491.5	4	UniProt (D5E1T0) Pfam (PF01055) Pfam (PF21365)	Priestia megaterium DSM 319
2	E, G, I, K (A, B, C, D)	[(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid	non-polymer		241.3	4	Chemie (Y2W)
3	F, H, J, L (A, B, C, D)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
4	M, N, O, P (A, B, C, D)	water	water		18.0	587	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 679 (UniProt: D5E1T0)

PDB	External Database	Details
Met -19	-	initiating methionine
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	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	321966.1
Non-Polymers*	Number of molecules	8
	Total formula weight	1121.4
All*	Total formula weight	323087.5

*Water molecules are not included.