8CQI

Human heparanase in complex with inhibitor R3794

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Heparanase 50 kDa subunit	polymer	389	43733.3	1	UniProt (Q9Y251) Pfam (PF03662) In PDB	Homo sapiens (human)
2	B	Heparanase	polymer	77	8542.8	1	UniProt (Q9Y251) In PDB	Homo sapiens (human)	Endo-glucoronidase,Heparanase-1,Hpa1
3	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
4	A	(3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid	non-polymer		177.2	1	Chemie (VGO)
5	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	A	1,5-anhydro-D-arabinitol	non-polymer		134.1	1	Chemie (LYY)
7	A	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
8		water	water		18.0	135	Chemie (HOH)

Sequence modifications

A: 158 - 543 (UniProt: Q9Y251)

PDB	External Database	Details
Asp 155	-	expression tag
Pro 156	-	expression tag
Gly 157	-	expression tag
Arg 307	Lys 307	variant

B: 1 - 74 (UniProt: Q9Y251)

PDB	External Database	Details
Asp -2	-	expression tag
Pro -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	52276.1
Non-Polymers*	Number of molecules	12
	Total formula weight	1647.8
All*	Total formula weight	53923.9

*Water molecules are not included.