8I5P

Crystal structure of TxGH116 D593A 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, B (A, B)	beta-glucosidase	polymer	799	91750.2	2	UniProt (F6BL85) Pfam (PF12215) Pfam (PF04685)	Thermoanaerobacterium xylanolyticum LX-11
2	C, D (D, E)	beta-D-glucopyranose-(1-4)-beta-D-glucopyranose	branched		342.3	2	In PDB BIRD (PRD_900005) GlyTouCan (G84824ZO)
3	E (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	F, H (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
5	G (A)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
6	I, J (A, B)	water	water		18.0	303	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
Ala 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	2
	Total formula weight	183500.3
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	4
	Total formula weight	367.5
All*	Total formula weight	184552.4

*Water molecules are not included.