5NPF

Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with beta Cyclophellitol Cyclosulfate probe ME594

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Glucosylceramidase	polymer	798	91723.1	1	UniProt (F6BL85) Pfam (PF12215) Pfam (PF04685) In PDB	Thermoanaerobacterium xylanolyticum	txGH116
2	A	1,2-ETHANEDIOL	non-polymer		62.1	13	Chemie (EDO)
3	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
4	A	[(1~{R},2~{R},3~{R},4~{S},5~{R})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate	non-polymer		274.2	1	Chemie (945)
5		water	water		18.0	567	Chemie (HOH)

Sequence modifications

A: 19 - 806 (UniProt: F6BL85)

PDB	External Database	Details
Met 17	-	initiating methionine
Ala 18	-	expression tag
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	91723.1
Non-Polymers*	Number of molecules	15
	Total formula weight	1121.2
All*	Total formula weight	92844.3

*Water molecules are not included.