8JBO

Crystal structure of TxGH116 from Thermoanaerobacterium xylanolyticum with isofagomine

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)	Glucosylceramidase	polymer	798	91723.1	2	UniProt (F6BL85) Pfam (PF12215) Pfam (PF04685)	Thermoanaerobacterium xylanolyticum LX-11
2	C, Q (A, B)	5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE	non-polymer		147.2	2	Chemie (IFM)
3	CA, D, P (B, A)	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
4	AA, E, F, G, H... (B, A)	GLYCEROL	non-polymer		92.1	20	Chemie (GOL)
5	BA, O (B, A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	DA, EA (A, B)	water	water		18.0	967	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	183446.2
Non-Polymers*	Number of molecules	27
	Total formula weight	2380.6
All*	Total formula weight	185826.8

*Water molecules are not included.