9ELC

Structure of glucocerebrosidase in complex with a covalent inhibitor

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 (A, B)	Glucosylceramidase	polymer	497	55640.2	2	UniProt (B2R6A7)	Homo sapiens (human)	Glucocerebrosidase
2	C (E)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	1	In PDB GlyTouCan (G21290RB)
3	D, E (F, 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)
4	AA, F (B, A)	(1S,2R,3S,4S,5S)-5-(hexylamino)-4-(hexyloxy)cyclohexane-1,2,3-triol	non-polymer		331.5	2	Chemie (A1BLE)
5	BA, G (B, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG) PubChem (24139)
6	CA, DA, EA, FA, GA... (B, A)	SULFATE ION	non-polymer		96.1	12	Chemie (SO4)
7	IA, JA, KA, LA, MA... (B, A)	1,2-ETHANEDIOL	non-polymer		62.1	24	Chemie (EDO)
8	TA, UA (A, B)	water	water		18.0	667	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	111280.3
Branched	Number of molecules	3
	Total formula weight	1419.3
Non-Polymers*	Number of molecules	40
	Total formula weight	3747.8
All*	Total formula weight	116447.5

*Water molecules are not included.