8R1M

Structure of TxGH116 with covalently bound N-azido-octyl aziridine

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	799	91794.2	2	UniProt (F6BL85) Pfam (PF12215) Pfam (PF04685)	Thermoanaerobacterium xylanolyticum LX-11
2	C, I (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	D, E, J (A, B)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
4	F, G, L (A, B)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
5	H, K (A, B)	(1R,2R,3R,4S)-4-[8-(azanyldiazenyl)octylamino]-3-(hydroxymethyl)cyclopentane-1,2-diol	non-polymer		302.4	2	Chemie (XHR)
6	M, N (A, B)	water	water		18.0	880	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
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	183588.4
Non-Polymers*	Number of molecules	10
	Total formula weight	1079.5
All*	Total formula weight	184667.9

*Water molecules are not included.