5V8U
Small Molecule Inhibitor ABS-143 Bound to the Botulinum Neurotoxin Serotype A Light Chain
Summary for 5V8U
Entry DOI | 10.2210/pdb5v8u/pdb |
Related | 5V8P 5V8R |
Descriptor | Botulinum neurotoxin type A, ZINC ION, N-[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]-2-sulfanylacetamide, ... (4 entities in total) |
Functional Keywords | metalloprotease, drug design, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Clostridium botulinum |
Cellular location | Botulinum neurotoxin A light chain: Secreted. Botulinum neurotoxin A heavy chain: Secreted: P10845 |
Total number of polymer chains | 2 |
Total formula weight | 102295.98 |
Authors | Allen, K.N.,Silvaggi, N.R. (deposition date: 2017-03-22, release date: 2017-07-26, Last modification date: 2023-10-04) |
Primary citation | Jacobson, A.R.,Adler, M.,Silvaggi, N.R.,Allen, K.N.,Smith, G.M.,Fredenburg, R.A.,Stein, R.L.,Park, J.B.,Feng, X.,Shoemaker, C.B.,Deshpande, S.S.,Goodnough, M.C.,Malizio, C.J.,Johnson, E.A.,Pellett, S.,Tepp, W.H.,Tzipori, S. Small molecule metalloprotease inhibitor with in vitro, ex vivo and in vivo efficacy against botulinum neurotoxin serotype A. Toxicon, 137:36-47, 2017 Cited by PubMed: 28698055DOI: 10.1016/j.toxicon.2017.06.016 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.05 Å) |
Structure validation
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