9F9Z

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	520	58232.3	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	branched		424.4	1	In PDB GlyTouCan (G42666HT)
3	C, D (A)	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
4	E (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
5	F (A)	(2~{S})-1-(2,6-dimethylphenoxy)propan-2-amine	non-polymer		179.3	1	Chemie (A1IBI)
6	G (A)	water	water		18.0	164	Chemie (HOH)

Sequence modifications

A: 40 - 536 (UniProt: P04062)

PDB	External Database	Details
Met 23	-	initiating methionine
Gly 24	-	expression tag
Pro 25	-	expression tag
Leu 26	-	expression tag
Leu 27	-	expression tag
Leu 28	-	expression tag
Leu 29	-	expression tag
Leu 30	-	expression tag
Pro 31	-	expression tag
Leu 32	-	expression tag
Leu 33	-	expression tag
Trp 34	-	expression tag
Ala 35	-	expression tag
Gly 36	-	expression tag
Ala 37	-	expression tag
Leu 38	-	expression tag
Ala 39	-	expression tag
His 537	-	expression tag
His 538	-	expression tag
His 539	-	expression tag
His 540	-	expression tag
His 541	-	expression tag
His 542	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	58232.3
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	4
	Total formula weight	353.5
All*	Total formula weight	59010.3

*Water molecules are not included.