3R4S

Cell entry of botulinum neurotoxin type C is dependent upon interaction with two ganglioside molecules

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Botulinum neurotoxin type C1	polymer	443	51410.3	2	UniProt (P18640) Pfam (PF07953) Pfam (PF07951) In PDB	Clostridium botulinum	BoNT/C1, Bontoxilysin-C1, Botulinum neurotoxin C1 heavy chain
2	A, B	N-acetyl-beta-neuraminic acid	non-polymer		309.3	2	Chemie (SLB)
3	A, B	N-acetyl-alpha-neuraminic acid	non-polymer		309.3	2	Chemie (SIA)
4		water	water		18.0	870	Chemie (HOH)

Sequence modifications

A, B: 867 - 1291 (UniProt: P18640)

PDB	External Database	Details
Met 861	-	expression tag
Arg 862	-	expression tag
Gly 863	-	expression tag
Ser 864	-	expression tag
Met 865	-	expression tag
Ala 866	-	expression tag
Pro 1292	-	expression tag
Gly 1293	-	expression tag
Ser 1294	-	expression tag
Ala 1295	-	expression tag
Trp 1296	-	expression tag
Ser 1297	-	expression tag
His 1298	-	expression tag
Pro 1299	-	expression tag
Gln 1300	-	expression tag
Phe 1301	-	expression tag
Glu 1302	-	expression tag
Lys 1303	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	102820.7
Non-Polymers*	Number of molecules	4
	Total formula weight	1237.1
All*	Total formula weight	104057.8

*Water molecules are not included.