1FV3

THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH AN ANALOGUE OF ITS GANGLIOSIDE RECEPTOR GT1B

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 HEAVY CHAIN	polymer	472	53997.8	2	UniProt (P04958) Pfam (PF07953) Pfam (PF07951)	Clostridium tetani
2	C, D (C, D)	N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-beta-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose	branched		1581.4	2	In PDB GlyTouCan (G19543NY)
3	E, G (A, B)	ETHYL-TRIMETHYL-SILANE	non-polymer		102.3	2	Chemie (CEQ)
4	F (B)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
5	H, I (A, B)	water	water		18.0	241	Chemie (HOH)

Sequence modifications

A, B: 865 - 1315 (UniProt: P04958)

PDB	External Database	Details
Met 844	-	SEE REMARK 999
Gly 845	-	SEE REMARK 999
Ser 846	-	SEE REMARK 999
Ser 847	-	SEE REMARK 999
His 848	-	SEE REMARK 999
His 849	-	SEE REMARK 999
His 850	-	SEE REMARK 999
His 851	-	SEE REMARK 999
His 852	-	SEE REMARK 999
His 853	-	SEE REMARK 999
Ser 854	-	SEE REMARK 999
Ser 855	-	SEE REMARK 999
Gly 856	-	SEE REMARK 999
Leu 857	-	SEE REMARK 999
Val 858	-	SEE REMARK 999
Pro 859	-	SEE REMARK 999
Arg 860	-	SEE REMARK 999
Gly 861	-	SEE REMARK 999
Ser 862	-	SEE REMARK 999
His 863	-	SEE REMARK 999
Met 864	-	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	107995.5
Branched	Number of molecules	2
	Total formula weight	3162.8
Non-Polymers*	Number of molecules	3
	Total formula weight	299.5
All*	Total formula weight	111457.8

*Water molecules are not included.