7DKY

Crystal structure of TxGH116 E441G nucleophile mutant from Thermoanaerobacterium xylanolyticum with cellotriose

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	91722.1	1	UniProt (F6BL85) Pfam (PF12215) Pfam (PF04685) In PDB	Thermoanaerobacterium xylanolyticum LX-11
2	B	beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose	branched		504.4	1	In PDB GlyTouCan (G14338VK)
3	A	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
4	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
5		water	water		18.0	555	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
Gly 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	91722.1
Branched	Number of molecules	1
	Total formula weight	504.4
Non-Polymers*	Number of molecules	7
	Total formula weight	592.6
All*	Total formula weight	92819.2

*Water molecules are not included.