8I5S

Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with 2-deoxy-2-fluoroglucoside

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	beta-glucosidase	polymer	799	91793.2	1	UniProt (F6BL85) Pfam (PF12215) Pfam (PF04685)	Thermoanaerobacterium xylanolyticum LX-11
2	B (A)	2-deoxy-2-fluoro-alpha-D-glucopyranose	non-polymer		182.1	1	Chemie (G2F)
3	C, D, E, F, G... (A)	GLYCEROL	non-polymer		92.1	13	Chemie (GOL)
4	P (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
5	Q (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
6	R, S (A)	2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside	non-polymer		348.2	2	Chemie (NFG)
7	T (A)	water	water		18.0	607	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
Asn 593	Asp 593	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	91793.2
Non-Polymers*	Number of molecules	18
	Total formula weight	2178.0
All*	Total formula weight	93971.2

*Water molecules are not included.