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Protein Structures and Oligomeric States

Enter a protein name, UniProt accession or PDB ID. Name searches ask you to confirm the protein identity before related structures are queried.

Current Protein Identity：A5HZZ9 New Search
23PDB entries
26Biological assembly
30chain/assembly records
Main Difference Dimensions in This Set
Different construct Different mutation/modification Different assembly state Different ligand/ion Different experimental conditions Different structure-quality metrics

Difference tags compare only the current result set; every original PDB and assembly record remains separate.

Related-Structure Differences

Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.

PDB Entry Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Experimental Method Experimental Conditions Structure Quality
2W2D Crystal Structure of a Catalytically Active, Non-toxic Endopeptidase Derivative of Clostridium botulinum Toxin A Deposited 2008-10-29 Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 1–442（442 aa） Fragment：RESIDUES 1-442
Chain B 447–877（431 aa） Fragment：RESIDUES 447-877
Not recorded SO4 SULFATE ION × 2 ZN ZINC ION × 1 CL CHLORIDE ION × 2 GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；PROTEIN: 0.05 M HEPES PH 7.2 AND 0.2 M NACL MOTHER LIQUOR: 15% SUCROSE, 0.1 M TRIS PH 8.5, 1.5 M AMMONIUM SULPHATE.
Resolution 2.59 Å R-free 0.253
2W2D Crystal Structure of a Catalytically Active, Non-toxic Endopeptidase Derivative of Clostridium botulinum Toxin A Deposited 2008-10-29 Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain C 1–442（442 aa） Fragment：RESIDUES 1-442
Chain D 447–877（431 aa） Fragment：RESIDUES 447-877
Not recorded SO4 SULFATE ION × 2 ZN ZINC ION × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；PROTEIN: 0.05 M HEPES PH 7.2 AND 0.2 M NACL MOTHER LIQUOR: 15% SUCROSE, 0.1 M TRIS PH 8.5, 1.5 M AMMONIUM SULPHATE.
Resolution 2.59 Å R-free 0.253
3BWI Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with an acetate ion bound at the active site Deposited 2008-01-09 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–424（424 aa） Fragment：residues 1-424
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；15% PEG 3350, 0.3M ammonium sulfate, 0.1M Bis-Tris , pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.70 Å R-free 0.240
3C88 Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with inhibitory peptide RRGC Deposited 2008-02-11 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 1–424（424 aa） Fragment：residues 1-424
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；12% PEG 3350, 0.2M ammonium sulfate, 0.1M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.60 Å R-free 0.217
3C89 Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with inhibitory peptide RRGM Deposited 2008-02-11 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 1–424（424 aa） Fragment：RESIDUES 1-424
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；15% PEG 3350, 0.3M AMMONIUM SULFATE, 0.1M BIS-TRIS, pH 6.40, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.58 Å R-free 0.208
3C8A Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with inhibitory peptide RRGL Deposited 2008-02-11 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 1–424（424 aa） Fragment：RESIDUES 1-424
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；293 K；18% PEG 3350, 0.3M AMMONIUM SULFATE, 0.1M BIS-TRIS, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.52 Å R-free 0.207
3C8B Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with inhibitory peptide RRGI Deposited 2008-02-11 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 1–424（424 aa） Fragment：RESIDUES 1-424
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；293 K；17% PEG 3350, 0.25M AMMONIUM SULFATE, 0.1M BIS-TRIS, pH 6.90, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.47 Å R-free 0.216
3DDA Crystal structure of the catalytic domain of Botulinum neurotoxin serotype a with a snap-25 peptide Deposited 2008-06-05 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 1–424（424 aa） Fragment：residues 1-424
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；20% PEG8000, 0.2M Ammoium Sulfate, 0.1M Sodium Cacodylate, 5% Ethylene Glycol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.50 Å R-free 0.200
3DDB Crystal structure of the catalytic domain of Botulinum neurotoxin serotype a with a substrate analog peptide Deposited 2008-06-05 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 1–424（424 aa） Fragment：residues 1-424
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；20% PEG8000, 0.2M Ammoium Sulfate, 0.1M Sodium Cacodylate, 5% Ethylene Glycol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.60 Å R-free 0.218
3DS9 A potent peptidomimetic inhibitor of botulinum neurotoxin serotype A has a very different conformation than SNAP-25 substrate Deposited 2008-07-11 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 1–417（417 aa） Fragment：light chain
Mutation：residues 2-420 ZN ZINC ION × 1 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；0.1X PEG MME 2000, 5 mM NiCl2, and 100 mM HEPES pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.76 Å R-free 0.248
3DSE A potent peptidomimetic inhibitor of botulinum neurotoxin serotype A has a very different conformation than SNAP-25 substrate Deposited 2008-07-11 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–417（417 aa） Fragment：light chain
Mutation：residues 2-420 ZN ZINC ION × 1 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；0.1X PEG MME 2000, 5 mM NiCl2, and 100 mM HEPES pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.243
3K3Q Crystal Structure of a Llama Antibody complexed with the C. Botulinum Neurotoxin Serotype A Catalytic Domain Deposited 2009-10-04 Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count
Chain B 3–250（248 aa） Fragment：N-terminal fragment of BoNT catalytic domain (residues 3-250)
Chain C 251–425（175 aa） Fragment：C-terminal fragment of BoNT catalytic domain (residues 251-425)
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；25% ethylene glycol, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.60 Å R-free 0.256
3K3Q Crystal Structure of a Llama Antibody complexed with the C. Botulinum Neurotoxin Serotype A Catalytic Domain Deposited 2009-10-04 Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count
Chain B 3–250（248 aa） Fragment：N-terminal fragment of BoNT catalytic domain (residues 3-250)
Chain C 251–425（175 aa） Fragment：C-terminal fragment of BoNT catalytic domain (residues 251-425)
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；25% ethylene glycol, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.60 Å R-free 0.256
3QIX Crystal Structure of BoNT/A LC with Zinc bound Deposited 2011-01-28 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 3–424（422 aa） Fragment：light chain (UNP residues 3-424)
Not recorded EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；15% PEG6000, 5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.41 Å R-free 0.228
3QIX Crystal Structure of BoNT/A LC with Zinc bound Deposited 2011-01-28 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 3–424（422 aa） Fragment：light chain (UNP residues 3-424)
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；15% PEG6000, 5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.41 Å R-free 0.228
3QIY Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-1 Deposited 2011-01-28 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 3–424（422 aa） Fragment：light chain (UNP residues 3-424)
Not recorded ZN ZINC ION × 1 QI1 4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；293 K；13% PEG6000, 100 mM MES, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.30 Å R-free 0.263
3QIZ Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-2 Deposited 2011-01-28 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 3–424（422 aa） Fragment：light chain (UNP residues 3-424)
Not recorded ZN ZINC ION × 1 QI2 (2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；15% PEG6000, 5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.00 Å R-free 0.223
3QJ0 Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-3 Deposited 2011-01-28 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 3–424（422 aa） Fragment：light chain (UNP residues 3-424)
Not recorded ZN ZINC ION × 1 QI3 (4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；10% PEG6000, 100 mM MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.30 Å R-free 0.229
3QW5 Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRGF Deposited 2011-02-26 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 1–424（424 aa） Fragment：light chain (UNP residues 1-424)
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.6；293 K；25% PEG3350, 0.3 M ammonium sulfate, pH 6.60, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.60 Å R-free 0.232
3QW6 Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RYGC Deposited 2011-02-26 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 1–424（424 aa） Fragment：light chain (UNP residues 1-424)
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；293 K；22% PEG3350, 0.3 M ammonium sulfate, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.60 Å R-free 0.222
3QW7 Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRFC Deposited 2011-02-27 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 1–424（424 aa） Fragment：light chain (UNP residues 1-424)
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；293 K；22% PEG3350, 0.3 M ammonium sulfate, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.50 Å R-free 0.209
3QW8 Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor CRGC Deposited 2011-02-27 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 1–424（424 aa） Fragment：light chain (UNP residues 1-424)
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 3 NA SODIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；22% PEG3350, 0.3 M ammonium sulfate, pH 6.80, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.60 Å R-free 0.217
4KS6 Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S mutant with covalent inhibitor that modifies Cys-165 causing disorder in 166-174 stretch Deposited 2013-05-17 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 1–425（425 aa） Fragment：Catalytic domain residues 1-425
Mutation：C134S ZN ZINC ION × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 3 PEG DI(HYDROXYETHYL)ETHER × 1 PGO S-1,2-PROPANEDIOL × 2 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；protein complex - 6 microL LCA C134S at 145 microM + 1.4 microL KG23 at 1.25 milli-M, Reservoir - 17.5% PEG 600, 0.065 M HEPES pH 7.5. Cryoprotectant - CryoProtX CM1, 10% PEG 20K, 100 milliM CHC (citric acid, HEPES, CHES - 40% pH 4 / 60% pH 10), VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.93 Å R-free 0.252
4KTX Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S mutant with covalent inhibitor that modifies Cys-165 causing disorder in 167-174 stretch Deposited 2013-05-21 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 1–425（425 aa） Fragment：Catalytic domain residues 1-425
Mutation：C134S ZN ZINC ION × 1 PGO S-1,2-PROPANEDIOL × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；293 K；Protein - preformed complex LCA_C134S-KG13 at 10 mg/mL, Reservoir - 4% PEG 4000, 0.1 M imidazole malate, Cryoprotectant 40% CryoProtX CM3, 18% MPEG 2K, 0.1 M PCTP (Na propionate, Na cacodylate, Bis-Tris-propane) (50% pH 4 / 50% pH 9.5), VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.59 Å R-free 0.298
4KUF Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134 mutant with MTSEA modified Cys-165 causing stretch disorder Deposited 2013-05-22 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–425（425 aa） Fragment：Catalytic domain residues 1-425
Mutation：C134S Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 4 LMR (2S)-2-hydroxybutanedioic acid × 1 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 9 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；LCA-C134S-MTSEA at 3 mg/ml in 0.010 M Tris-HCl, pH 7.9, 0.050 M Li2SO4, DROPS - 3+3 micro-l, RESERVOIR - 42% MPEG-550, 0.1 M Li2SO4, 0.2 M imidazole malate, pH 5.5, CRYOSOLUTION - 18% MPEG2K, 22% MPD, 10% DMSO, 0.050 M bicine, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.70 Å R-free 0.231
5L21 Crystal structure of BoNT/A receptor binding domain in complex with VHH C2 Deposited 2016-07-29 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 872–1296（425 aa）
Mutation：T1158A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；18% polyethylene glycol 6,000; 100 mM Sodium Acetate, pH 5.0
Resolution 1.68 Å R-free 0.205

This page presents structural evidence recorded in PDB/mmCIF.“No recorded non-water small molecule” does not prove that the experimental sample was ligand-free; experimental conditions belong to the PDB experiment, while ligands and copy counts are shown for each biological assembly.