9FB2

Gcase in complex with small molecule inhibitor 1

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	Lysosomal acid glucosylceramidase	polymer	546	61162.5	1	UniProt (P04062) Pfam (PF02055) Pfam (PF17189) In PDB	Homo sapiens (human)	Lysosomal acid GCase,Acid beta-glucosidase,Alglucerase,Beta-glucocerebrosidase,Beta-GC,Beta-glucosylceramidase 1,Cholesterol glucosyltransferase,SGTase,Cholesteryl-beta-glucosidase,D-glucosyl-N-acylsphingosine glucohydrolase,Glucosylceramidase beta 1,Imiglucerase,Lysosomal cholesterol glycosyltransferase,Lysosomal galactosylceramidase,Lysosomal glycosylceramidase
2	B, C	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	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
4	A	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
5	A	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
6	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
7	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
8	A	~{N}-[(2~{R})-2-azanyl-2-(3-prop-1-en-2-ylphenyl)ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide	non-polymer		366.4	1	Chemie (A1IBO)
9		water	water		18.0	680	Chemie (HOH)

Sequence modifications

A: 1 - 536 (UniProt: P04062)

PDB	External Database	Details
His 537	-	expression tag
His 538	-	expression tag
His 539	-	expression tag
His 540	-	expression tag
His 541	-	expression tag
His 542	-	expression tag
His 543	-	expression tag
His 544	-	expression tag
His 545	-	expression tag
His 546	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	61162.5
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	12
	Total formula weight	1284.5
All*	Total formula weight	63295.8

*Water molecules are not included.