6RK2

Complex structure of virulence factor SghA mutant with its substrate SAG

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)	Beta-glucosidase	polymer	490	54831.5	2	UniProt (A0A2I4PGZ0) Pfam (PF00232)	Agrobacterium tumefaciens A6
2	C, D (A, B)	2-(alpha-L-altropyranosyloxy)benzoic acid	non-polymer		300.3	2	Chemie (6GR)
3	E, F (A, B)	water	water		18.0	497	Chemie (HOH)

Sequence modifications

A, B: 1 - 467 (UniProt: A0A2I4PGZ0)

PDB	External Database	Details
Met -22	-	initiating methionine
Gly -21	-	expression tag
Ser -20	-	expression tag
Ser -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Ser -12	-	expression tag
Ser -11	-	expression tag
Gly -10	-	expression tag
Leu -9	-	expression tag
Val -8	-	expression tag
Pro -7	-	expression tag
Arg -6	-	expression tag
Gly -5	-	expression tag
Ser -4	-	expression tag
His -3	-	expression tag
Met -2	-	expression tag
Leu -1	-	expression tag
Glu 0	-	expression tag
Ser 179	Glu 179	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	109663.1
Non-Polymers*	Number of molecules	2
	Total formula weight	600.5
All*	Total formula weight	110263.6

*Water molecules are not included.