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Structures

BotDB holds extensive information on a total of 90 structures. Protein structures are listed with their PDB ID, description, and other color-coded features including:

J Jmol (Download java from Sun)
P link to PDB website
Pf PDB file
D DSSP Summary
bXm literature reference from botXminer
R reference for articles not available in PubMed
Pm PubMed link
Inh inhibitor

Structure Count
BoNT/A 31
BoNT/B 18
BoNT/C 1
BoNT/D 1
BoNT/E 8
BoNT/F 2
BoNT/G 1
non experimental 1
BoNT Substrates 7
HA33 7
TeNT 12
Antibody 1
Botulinum Neurotoxin Serotype A (BoNT/A)
PDB ID Description Image Other features
1E1H light chain in product bound state thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1XTF light chain of E224Q Y366F mutant thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1XTG light chain of E224Q Y366F mutant complexed with SNAP 25 ('polymer 1: light chain with E224Q, Y366F mutations' 'polymer 2: n2 domain of SNAP-25') thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2G7K light chain bound to small molecule inhibitors thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2G7N light chain bound to small molecule inhibitors thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2G7P light chain of R362A/Y365F mutant thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2G7Q light chain of R362A/Y365F mutant complexed with small molecule inhibitor ArgHX thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2ILP light chain inhibited by 4-chlorocinnamic hydroxamate thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2IMA light chain inhibited by 2,4-dichlorocinnamic hydroxamate thumbnail picture of BoNT protein structure J P Pf D bXm Pm Inh
2IMB light chain inhibited by L-arginine hydroxamate thumbnail picture of BoNT protein structure J P Pf D bXm Pm Inh
2IMC light chain, residues 1-424 thumbnail picture of BoNT protein structure J P Pf D bXm Pm Inh
2ISE light chain WT crystal form A thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2ISG light chain WT crystal form B thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2ISH light chain WT crystal form C thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2NYY holotoxin complexed with monoclonal antibody CR1 thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2NZ9 holotoxin complexed with monoclonal antibody AR2 thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2VU9 holotoxin binding domain in complex with GT1B thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2VUA holotoxin binding domain thumbnail picture of BoNT protein structure J P Pf D bXm Pm
3BOK light chain apo-enzyme thumbnail picture of BoNT protein structure J P Pf D bXm Pm
3BON light chain with Zn2+ cofactor bound thumbnail picture of BoNT protein structure J P Pf D bXm Pm
3BOO light chain with N-Ac-CRATKML inhibitory peptide bound thumbnail picture of BoNT protein structure J P Pf D bXm Pm Inh
3BTA holotoxin thumbnail picture of BoNT protein structure J P Pf D bXm Pm
3BWI light chain with an acetate ion bound at the active site thumbnail picture of BoNT protein structure J P Pf D bXm Pm
3C88 light chain with inhibitory peptide RRGC thumbnail picture of BoNT protein structure J P Pf D bXm Pm Inh
3C89 light chain with inhibitory peptide RRGM thumbnail picture of BoNT protein structure J P Pf D bXm Pm Inh
3C8A light chain with inhibitory peptide RRGL thumbnail picture of BoNT protein structure J P Pf D bXm Pm Inh
3C8B light chain with inhibitory peptide RRGI thumbnail picture of BoNT protein structure J P Pf D bXm Pm Inh
3DDA light chain with a SNAP-25 peptide thumbnail picture of BoNT protein structure J P Pf D bXm Pm
3DDB light chain with a substrate analog peptide thumbnail picture of BoNT protein structure J P Pf D bXm Pm
3DS9 a potent peptidomimetic inhibitor of holotoxin thumbnail picture of BoNT protein structure J P Pf D bXm Pm
3DSE a potent peptidomimetic inhibitor of holotoxin thumbnail picture of BoNT protein structure J P Pf D bXm Pm
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Botulinum Neurotoxin Serotype B (BoNT/B)
PDB ID Description Image Other features
1EPW holotoxin thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1F31 holotoxin complexed with a trisaccharide(sialyllactose) thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1F82 light chain (chain A) thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1G9A holotoxin complexed with inhibitor bis(5-amidino-benzimidazolyl) methane (expt:3) thumbnail picture of BoNT protein structure J P Pf D bXm Pm Inh
1G9B holotoxin complexed with inhibitor bis(5-amidino-benzimidazolyl) methane (BABIM) (expt:1) thumbnail picture of BoNT protein structure J P Pf D bXm Pm Inh
1G9C holotoxin complexed with inhibitor bis(5-amidino-benzimidazolyl) methane (BABIM) (expt:4) thumbnail picture of BoNT protein structure J P Pf D bXm Pm Inh
1G9D holotoxin complexed with inhibitor bis(5-amidino-benzimidazolyl) methane (BABIM) (expt:2) thumbnail picture of BoNT protein structure J P Pf D bXm Pm Inh
1I1E holotoxin complexed with doxorubicin thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1S0B holotoxin at pH 4.0 thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1S0C holotoxin at pH 5.0 thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1S0D holotoxin at pH 5.5 thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1S0E holotoxin at pH 6.0 thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1S0F holotoxin at pH 7.0 thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1S0G Zinc depleted apoform thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1Z0H recombinant C-fragment thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2ETF light chain (chains A,B) thumbnail picture of BoNT protein structure J P Pf D R
2NM1 holotoxin in complex with its protein receptor thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2NP0 holotoxin complexed with synaptotagamin-II ectodomain thumbnail picture of BoNT protein structure J P Pf D bXm Pm
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Botulinum Neurotoxin Serotype C (BoNT/C)
PDB ID Description Image Other features
2QN0 light chain protease thumbnail picture of BoNT protein structure J P Pf D bXm Pm
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Botulinum Neurotoxin Serotype D (BoNT/D)
PDB ID Description Image Other features
2FPQ light chain thumbnail picture of BoNT protein structure J P Pf D bXm Pm
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Botulinum Neurotoxin Serotype E (BoNT/E)
PDB ID Description Image Other features
1T3A light chain thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1T3C light chain of E212Q mutant thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1ZKW light chain of R347A mutant thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1ZKX light chain of E158A/T159A/n 160A triple mutant thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1ZL5 light chain of E335Q mutant thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1ZL6 light chain of Y350A mutant thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1ZN3 light chain of E335A mutant thumbnail picture of BoNT protein structure J P Pf D bXm Pm
3D3X light chain in complex with SNAP-25 substrate peptide thumbnail picture of BoNT protein structure J P Pf D bXm Pm
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Botulinum Neurotoxin Serotype F (BoNT/F)
PDB ID Description Image Other features
2A8A light chain at a resolution of 2.0A thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2A97 light chain at a resolution of 1.8A thumbnail picture of BoNT protein structure J P Pf D bXm Pm
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Botulinum Neurotoxin Serotype G (BoNT/G)
PDB ID Description Image Other features
1ZB7 light chain thumbnail picture of BoNT protein structure J P Pf D bXm Pm
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Non-experimental Structure of Botulinum Neurotoxin Serotype A (BoNT/A)
PDB ID Description Image Other features
1UEE substrate-bound botox light chain thumbnail picture of BoNT protein structure J P Pf D R
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BoNT Substrates
PDB ID Description Image Other features
1EZ3 neuronal T-SNARE syntaxin 1a thumbnail picture of BoNT protein structure J P Pf D R Pm
1HVV self-association of the H3 region of syntaxin 1a: implications for SNARE complex assembly thumbnail picture of BoNT protein structure J P Pf D R Pm
1JTH a complex between the N-terminal region of SNAP25 and the SNARE region of syntaxin 1a thumbnail picture of BoNT protein structure J P Pf D R Pm
1KIL VAMP-2-syntaxin 1a-SNAP25-complex (SNARE complex) thumbnail picture of BoNT protein structure J P Pf D R Pm
1N7S truncated neuronal SNARE complex thumbnail picture of BoNT protein structure J P Pf D R Pm
1SFC synaptobrevin2-syntaxin1a-SNAP25b (neuronal synaptic fusion complex) thumbnail picture of BoNT protein structure J P Pf D R Pm
1URQ VAMP-2-syntaxin 1a-SNAP25 (neuronal Q-SNARES) in complex with R-SNARE motif of tomosyn thumbnail picture of BoNT protein structure J P Pf D R Pm
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Hemagglutinin
PDB ID Description Image Other features
1QXM hemagglutinin component (HA1) from type C thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1YBI HA33A from type A thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2E4M hemagglutinin subcomponent complex (HA-33/HA-17) from type D strain 4947 thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2EHI HA1 subcomponent of botulinum type C progenitor toxin complexed with N-acetylneuramic acid thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2EHM HA1 subcomponent of botulinum type C progenitor toxin complexed with N-acetylgalactosamine thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2EHN HA1 subcomponent of botulinum type C progenitor toxin complexed with galactose thumbnail picture of BoNT protein structure J P Pf D bXm Pm
2ZS6 HA3 subcomponent of botulinum type C progenitor toxin thumbnail picture of BoNT protein structure J P Pf D bXm Pm
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Tetanus Neurotoxin (TeNT)
PDB ID Description Image Other features
1A8D C fragment at a resolution of 1.57A thumbnail picture of BoNT protein structure J P Pf D R
1AF9 C fragment at a resolution of 2.7A thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1D0H C fragment complexed with N-acetyl-galactosamine thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1DFQ C fragment complexed with sialic acid thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1DIW C fragment complexed with galactose thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1DLL C fragment complexed with lactose thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1FV2 C fragment complexed with its ganglioside receptor GT1B analogue ('polymer 1: c-terminal domain of heavy chain' 'polymer 2: sugar(GLC-GAL-NGA-GAL-NAN-SLB-NAN)') thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1FV3 C fragment complexed with its ganglioside receptor GT1B analogue ('polymer 1: c-terminal domain of heavy chain' 'polymer 2: sugar(GLC-GAL-NGA-GAL-NAN-SLB-NAN)' 'polymer 3: sugar(7-mer)') thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1YVG light chain thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1YXW C fragment complexed with tri-peptide thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1YYN C fragment complexed with disialyllactose thumbnail picture of BoNT protein structure J P Pf D bXm Pm
1Z7H light chain of I361V mutant thumbnail picture of BoNT protein structure J P Pf D bXm Pm
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Antibody
PDB ID Description Image Other features
1AQK human Fab with high affinity for tetanus toxoid thumbnail picture of BoNT protein structure J P Pf D bXm Pm
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Last updated on May 13 2009


Sponsored by U. S. Army Medical Research Institute of Infectious Diseases (USAMRIID) in collaboration with the National Cancer Institute (NCI) and Advanced Biomedical Computing Center (ABCC).Support for this project was provided by the Defense Threat Reduction Agency Joint Science and Technology Office-Chemical Biological defense (DTRA JSTO-CBD) project 3.10043_07_RD_B and by the National Cancer Institute, National Institutes of Health, under contract No. HHSN261200800001E. a logo of the U.S. Army Medical Research Institute of Infectious Disease a logo of the National Cancer Institute, United States a logo of the Advanced Biomedical Computing Center, Advanced Technology Program
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