5LVX

Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Glucosylceramidase	polymer	497	55659.2	4	UniProt (P04062) Pfam (PF02055) Pfam (PF17189)	Homo sapiens (Human)	Acid beta-glucosidase,Alglucerase,Beta-glucocerebrosidase,Beta-GC,D-glucosyl-N-acylsphingosine glucohydrolase,Imiglucerase
2	E, H (E, H)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1073.0	2	In PDB GlyTouCan (G01760ZU)
3	F (F)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	G (G)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G22768VO)
5	DA, I (D, A)	11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid	non-polymer		518.6	2	Chemie (79B)
6	AA, BA, EA, FA, GA... (C, D, A, B)	PHOSPHATE ION	non-polymer		95.0	21	Chemie (PO4)
7	CA, P (D, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
8	Q, W (B, C)	11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid	non-polymer		518.6	2	Chemie (7E4)
9	JA, KA, LA, MA (A, B, C, D)	water	water		18.0	681	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	222636.9
Branched	Number of molecules	4
	Total formula weight	3481.2
Non-Polymers*	Number of molecules	27
	Total formula weight	4511.4
All*	Total formula weight	230629.4

*Water molecules are not included.