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3V0A

2.7 angstrom crystal structure of BoNT/Ai in complex with NTNHA

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A
(A)
BoNT/Apolymer1296149449.81UniProt (Q7B8V4)
Pfam (PF01742)
Pfam (PF07952)
Pfam (PF07953)
Pfam (PF07951)
UniProt (by SIFTS) (P0DPI1)
Clostridium botulinumBont/A1, Botulinum neurotoxin type A, Neurotoxin A, Neurotoxin BoNT
2B
(B)
NTNHpolymer1196138450.31UniProt (Q45914)
Pfam (PF01742)
Pfam (PF22133)
Pfam (PF07953)
Pfam (PF08470)
Clostridium botulinumType A progenitor toxin nontoxic-nonHA
3C
(C)
Llama antibody F12polymer15216163.71Lama glama
4D
(A)
ZINC IONnon-polymer65.41Chemie (ZN)
5E
(A)
CALCIUM IONnon-polymer40.11Chemie (CA)
6CA, F, G, H, I...
(C, A, B)
SULFATE IONnon-polymer96.120Chemie (SO4)
7AA, BA, Y, Z
(B)
2-(N-MORPHOLINO)-ETHANESULFONIC ACIDnon-polymer195.24Chemie (MES)
8DA, EA, FA
(A, B, C)
waterwater18.0294Chemie (HOH)
Sequence modifications
A: 1 - 1296 (UniProt: Q7B8V4)
PDBExternal DatabaseDetails
Gln 224Glu 224engineered mutation
Ala 363Arg 363engineered mutation
Phe 366Tyr 366engineered mutation
Ala 1158Thr 1158conflict
B: 1 - 1193 (UniProt: Q45914)
PDBExternal DatabaseDetails
Gly -1-expression tag
Ser 0-expression tag
Pro 1194-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains3
Total formula weight304063.8
Non-Polymers*Number of molecules26
Total formula weight2807.7
All*Total formula weight306871.5
*Water molecules are not included.

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PDB entries from 2025-10-08

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