6Z39

Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY functionalised epoxide 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	AAA, BBB	Glucosylceramidase	polymer	497	55640.2	2	UniProt (P04062) Pfam (PF02055) Pfam (PF17189) In PDB	Homo sapiens (Human)	Acid beta-glucosidase,Alglucerase,Beta-glucocerebrosidase,Beta-GC,D-glucosyl-N-acylsphingosine glucohydrolase,Imiglucerase
2	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
3	BBB, AAA	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
4	AAA	(1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol	non-polymer		532.4	1	Chemie (Q65)
5	BBB, AAA	~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]pentanamide	non-polymer		277.3	2	Chemie (K35)
6	BBB, AAA	SULFATE ION	non-polymer		96.1	13	Chemie (SO4)
7	BBB, AAA	1,2-ETHANEDIOL	non-polymer		62.1	16	Chemie (EDO)
8	BBB, AAA	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
9	AAA	GUANIDINE	non-polymer		59.1	1	Chemie (GAI)
10	BBB	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
11		water	water		18.0	904	Chemie (HOH)

Sequence modifications

AAA, BBB: 1 - 497 (UniProt: P04062)

PDB	External Database	Details
His 495	Arg 534	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	111280.3
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	42
	Total formula weight	4442.0
All*	Total formula weight	116571.2

*Water molecules are not included.