1H49

CRYSTAL STRUCTURE OF THE INACTIVE DOUBLE MUTANT OF THE MAIZE BETA-GLUCOSIDASE ZMGLU1-E191D-F198V IN COMPLEX WITH DIMBOA-GLUCOSIDE

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	512	58410.4	2	UniProt (P49235) Pfam (PF00232)	ZEA MAYS (MAIZE)	CHLOROPLAST PRECURSOR, GENTIOBIASE, CELLOBIASE, BETA-D-GLUCOSIDE GLUCOHYDROLASE, GLU1
2	C, E (A, B)	2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE	non-polymer		211.2	2	Chemie (HBO)
3	D, F (A, B)	beta-D-glucopyranose	non-polymer		180.2	2	Chemie (BGC)
4	G, H (A, B)	water	water		18.0	491	Chemie (HOH)

Sequence modifications

A, B: 1 - 512 (UniProt: P49235)

PDB	External Database	Details
Asp 191	Glu 245	engineered mutation
Val 198	Phe 252	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	116820.8
Non-Polymers*	Number of molecules	4
	Total formula weight	782.7
All*	Total formula weight	117603.4

*Water molecules are not included.