5N0C

Crystal structure of the tetanus neurotoxin in complex with GM1a

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Tetanus toxin	polymer	1335	152909.8	2	UniProt (P04958) Pfam (PF01742) Pfam (PF07952) Pfam (PF07953) Pfam (PF07951)	Clostridium tetani	Tentoxylysin
2	C, D (C, D)	beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose	branched		998.9	2	In PDB GlyTouCan (G48558GR)
3	E, G (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	F (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
5	H, I (A, B)	water	water		18.0	452	Chemie (HOH)

Sequence modifications

A, B: 1 - 1315 (UniProt: P04958)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ala 372	Arg 372	engineered mutation
Phe 375	Tyr 375	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	305819.7
Branched	Number of molecules	2
	Total formula weight	1997.8
Non-Polymers*	Number of molecules	3
	Total formula weight	236.9
All*	Total formula weight	308054.4

*Water molecules are not included.