7DKW

Crystal structure of TxGH116 E441G nucleophile mutant from Thermoanaerobacterium xylanolyticum with autocondensation products from alpha-fluoroglucoside.

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	799	91722.1	2	UniProt (F6BL85) Pfam (PF12215) Pfam (PF04685)	Thermoanaerobacterium xylanolyticum LX-11
2	C (D)	beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose	branched		666.6	1	In PDB GlyTouCan (G00025MO)
3	D (E)	beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose	branched		504.4	1	In PDB GlyTouCan (G14338VK)
4	E, F, G, I, J... (A, B)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
5	H, M (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
6	N, O (A, B)	water	water		18.0	1280	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	183444.2
Branched	Number of molecules	2
	Total formula weight	1171.0
Non-Polymers*	Number of molecules	9
	Total formula weight	724.8
All*	Total formula weight	185340.1

*Water molecules are not included.