8RVI

Structure of the binding domain of BoNT/A mutant H1253K in complex with the GM1a ganglioside receptor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Botulinum neurotoxin A heavy chain	polymer	444	51704.4	1	UniProt (P0DPI0)	Clostridium botulinum	HC
2	B (G)	beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose	branched		836.7	1	In PDB GlyTouCan (G50886AE)
3	C (A)	water	water		18.0	350	Chemie (HOH)

Sequence modifications

A: 876 - 1296 (UniProt: P0DPI0)

PDB	External Database	Details
Met 854	-	initiating methionine
Gly 855	-	expression tag
Ser 856	-	expression tag
Ser 857	-	expression tag
His 858	-	expression tag
His 859	-	expression tag
His 860	-	expression tag
His 861	-	expression tag
His 862	-	expression tag
His 863	-	expression tag
Ser 864	-	expression tag
Ser 865	-	expression tag
Gly 866	-	expression tag
Leu 867	-	expression tag
Val 868	-	expression tag
Pro 869	-	expression tag
Arg 870	-	expression tag
Gly 871	-	expression tag
Ser 872	-	expression tag
His 873	-	expression tag
Met 874	-	expression tag
Asp 875	-	expression tag
Lys 1253	His 1253	engineered mutation
Gln 1297	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	51704.4
Branched	Number of molecules	1
	Total formula weight	836.7
All*	Total formula weight	52541.2

*Water molecules are not included.