3V0C

4.3 angstrom crystal structure of an inactive BoNT/A (E224Q/R363A/Y366F)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	BoNT/A	polymer	1312	151198.7	1	UniProt (Q7B8V4) Pfam (PF01742) Pfam (PF07952) Pfam (PF07953) Pfam (PF07951) UniProt (by SIFTS) (P0DPI1)	Clostridium botulinum	Bont/A1, Botulinum neurotoxin type A, Neurotoxin A, Neurotoxin BoNT
2	B (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)

Sequence modifications

A: 1 - 1296 (UniProt: Q7B8V4)

PDB	External Database	Details
Gln 224	Glu 224	engineered mutation
Ala 363	Arg 363	engineered mutation
Phe 366	Tyr 366	engineered mutation
Ala 1158	Thr 1158	conflict
Val 1297	-	expression tag
Pro 1298	-	expression tag
Pro 1299	-	expression tag
Thr 1300	-	expression tag
Pro 1301	-	expression tag
Gly 1302	-	expression tag
Ser 1303	-	expression tag
Ala 1304	-	expression tag
Trp 1305	-	expression tag
Ser 1306	-	expression tag
His 1307	-	expression tag
Pro 1308	-	expression tag
Gln 1309	-	expression tag
Phe 1310	-	expression tag
Glu 1311	-	expression tag
Lys 1312	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	151198.7
Non-Polymers*	Number of molecules	1
	Total formula weight	65.4
All*	Total formula weight	151264.1

*Water molecules are not included.