7NWV

Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY Tagged Cyclophellitol activity based probe

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (AAA, BBB)	Lysosomal acid glucosylceramidase	polymer	497	55659.2	2	UniProt (P04062) Pfam (PF02055) Pfam (PF17189)	Homo sapiens (Human)	Lysosomal acid GCase,Acid beta-glucosidase,Alglucerase,Beta-glucocerebrosidase,Beta-GC,Cholesterol glucosyltransferase,SGTase,Cholesteryl-beta-glucosidase,D-glucosyl-N-acylsphingosine glucohydrolase,Imiglucerase
2	C, D (AdA, BdB)	1-deoxy-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	2	In PDB GlyTouCan (G62182OO)
3	E, G, HA, JA, N... (AAA, BBB)	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
4	F, IA (AAA, BBB)	(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol	non-polymer		531.4	2	Chemie (UUH)
5	H, KA, UA (AAA, BBB)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
6	AA, AB, CA, DA, EA... (AAA, BBB)	1,2-ETHANEDIOL	non-polymer		62.1	35	Chemie (EDO)
7	BA (AAA)	8-[4-(1-ethyl-1,2,3-triazol-4-yl)butyl]-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene	non-polymer		399.3	1	Chemie (UUE)
8	BB, CB (AAA, BBB)	water	water		18.0	744	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	111318.4
Branched	Number of molecules	2
	Total formula weight	1141.1
Non-Polymers*	Number of molecules	49
	Total formula weight	5066.6
All*	Total formula weight	117526.1

*Water molecules are not included.