7DKT

Crystal structure of TxGH116 E441A nucleophile mutant from Thermoanaerobacterium xylanolyticum with alpha-glucosyl fluoride

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	beta-glucosidase	polymer	799	91736.1	1	UniProt (F6BL85) Pfam (PF12215) Pfam (PF04685) In PDB	Thermoanaerobacterium xylanolyticum LX-11
2	A	alpha-D-glucopyranosyl fluoride	non-polymer		182.1	1	Chemie (GLF)
3	A	GLYCEROL	non-polymer		92.1	13	Chemie (GOL)
4	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
5		water	water		18.0	652	Chemie (HOH)

Sequence modifications

A: 19 - 806 (UniProt: F6BL85)

PDB	External Database	Details
Ala 16	-	expression tag
Met 17	-	expression tag
Ala 18	-	expression tag
Ala 441	Glu 441	engineered mutation
Leu 807	-	expression tag
Glu 808	-	expression tag
His 809	-	expression tag
His 810	-	expression tag
His 811	-	expression tag
His 812	-	expression tag
His 813	-	expression tag
His 814	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	91736.1
Non-Polymers*	Number of molecules	15
	Total formula weight	1419.4
All*	Total formula weight	93155.6

*Water molecules are not included.