5XXN

Crystal Structure of mutant (D286N) beta-glucosidase from Bacteroides thetaiotaomicron in complex with sophorose

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Periplasmic beta-glucosidase	polymer	760	84017.6	2	UniProt (Q8A1U1) Pfam (PF00933) Pfam (PF01915) Pfam (PF14310) In PDB	Bacteroides thetaiotaomicron (strain ATCC 29148 / DSM 2079 / NCTC 10582 / E50 / VPI-5482)
2	C, D	beta-D-glucopyranose-(1-2)-beta-D-glucopyranose	branched		342.3	2	In PDB GlyTouCan (G26080VZ)
3	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	A	alpha-D-glucopyranose	non-polymer		180.2	1	Chemie (GLC)
5	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6	A	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
7		water	water		18.0	765	Chemie (HOH)

Sequence modifications

A, B: 21 - 771 (UniProt: Q8A1U1)

PDB	External Database	Details
Met 20	-	expression tag
Asn 286	Asp 286	engineered mutation
Leu 772	-	expression tag
Glu 773	-	expression tag
His 774	-	expression tag
His 775	-	expression tag
His 776	-	expression tag
His 777	-	expression tag
His 778	-	expression tag
His 779	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	168035.1
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	5
	Total formula weight	529.1
All*	Total formula weight	169248.8

*Water molecules are not included.