9GV9

Structure of Heparinase I from Bacteroides eggerthii in complex with calcium cofactor and delta-UA(1-4)Glc 3, 6, N-Sulphated disaccharide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	Heparin lyase I	polymer	382	43574.3	2	UniProt (E5WZ15)	Bacteroides eggerthii
2	C, D (E, G)	4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose	branched		577.5	2	In PDB
3	E, F, G, H, Q... (B, A)	ACETATE ION	non-polymer		59.0	6	Chemie (ACT) PubChem (175)
4	I, J, K, L, M... (B, A)	SULFATE ION	non-polymer		96.1	15	Chemie (SO4)
5	AA, P (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA) PubChem (271)
6	BA, CA (B, A)	water	water		18.0	578	Chemie (HOH)

Sequence modifications

B, A: 2 - 374 (UniProt: E5WZ15)

PDB	External Database	Details
Met 1	-	initiating methionine
Leu 375	-	expression tag
Glu 376	-	expression tag
His 377	-	expression tag
His 378	-	expression tag
His 379	-	expression tag
His 380	-	expression tag
His 381	-	expression tag
His 382	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	87148.7
Branched	Number of molecules	2
	Total formula weight	1154.9
Non-Polymers*	Number of molecules	23
	Total formula weight	1875.4
All*	Total formula weight	90179.0

*Water molecules are not included.