8I5T

Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with cellobiose

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	91793.2	1	UniProt (F6BL85) Pfam (PF12215) Pfam (PF04685) In PDB	Thermoanaerobacterium xylanolyticum LX-11
2	B	beta-D-glucopyranose-(1-4)-beta-D-glucopyranose	branched		342.3	1	In PDB BIRD (PRD_900005) GlyTouCan (G84824ZO)
3	A	GLYCEROL	non-polymer		92.1	14	Chemie (GOL)
4	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
5	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6		water	water		18.0	615	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
Branched	Number of molecules	1
	Total formula weight	342.3
Non-Polymers*	Number of molecules	17
	Total formula weight	1453.5
All*	Total formula weight	93589.0

*Water molecules are not included.