5J14

Crystal structure of endoglycoceramidase I from Rhodococ-cus equi in complex with GM3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Putative secreted endoglycosylceramidase	polymer	500	53869.9	2	UniProt (E4W8N9) In PDB	Rhodococcus equi 103S
2	C	N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose	branched		633.6	1	In PDB GlyTouCan (G91237TK)
3	D	beta-D-galactopyranose-(1-4)-beta-D-glucopyranose	branched		342.3	1	In PDB BIRD (PRD_900004) GlyTouCan (G84224TW)		beta-lactose
4	A, B	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
5	A, B	N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)STEARAMIDE	non-polymer		566.0	2	Chemie (18C)
6		water	water		18.0	707	Chemie (HOH)

Sequence modifications

A, B: 27 - 492 (UniProt: E4W8N9)

PDB	External Database	Details
Met -7	-	expression tag
Gly -6	-	expression tag
Ser -5	-	expression tag
Ser -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
His 2	-	expression tag
Ser 3	-	expression tag
Ser 4	-	expression tag
Gly 5	-	expression tag
Leu 6	-	expression tag
Val 7	-	expression tag
Pro 8	-	expression tag
Arg 9	-	expression tag
Gly 10	-	expression tag
Ser 11	-	expression tag
His 12	-	expression tag
Met 13	-	expression tag
Ala 14	-	expression tag
Ser 15	-	expression tag
Met 16	-	expression tag
Thr 17	-	expression tag
Gly 18	-	expression tag
Gly 19	-	expression tag
Gln 20	-	expression tag
Gln 21	-	expression tag
Met 22	-	expression tag
Gly 23	-	expression tag
Arg 24	-	expression tag
Gly 25	-	expression tag
Ser 26	-	expression tag
Ser 339	Glu 339	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	107739.7
Branched	Number of molecules	2
	Total formula weight	975.8
Non-Polymers*	Number of molecules	4
	Total formula weight	1177.9
All*	Total formula weight	109893.5

*Water molecules are not included.