9FAD

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 (A)	Lysosomal acid glucosylceramidase	polymer	546	61194.5	1	UniProt (P04062) Pfam (PF02055) Pfam (PF17189)	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 (B)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		627.6	1	In PDB GlyTouCan (G47362BJ)
3	C (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
4	D, E (A)	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
5	F (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6	G (A)	~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide	non-polymer		228.3	1	Chemie (A1IBD)
7	H (A)	water	water		18.0	483	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	61194.5
Branched	Number of molecules	1
	Total formula weight	627.6
Non-Polymers*	Number of molecules	5
	Total formula weight	623.8
All*	Total formula weight	62445.9

*Water molecules are not included.