8R06

CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLANOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE

Replaces:  5NCX

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	799	91794.2	1	UniProt (F6BL85) Pfam (PF12215) Pfam (PF04685) In PDB	Thermoanaerobacterium xylanolyticum LX-11
2	A	(1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol	non-polymer		194.2	1	Chemie (PO8)
3	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
4	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6		water	water		18.0	371	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
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	91794.2
Non-Polymers*	Number of molecules	5
	Total formula weight	453.9
All*	Total formula weight	92248.1

*Water molecules are not included.