5V8R

Small Molecule Inhibitor ABS-143 Bound to the Botulinum Neurotoxin Serotype A Light Chain

Summary for 5V8R

• Entry DOI: 10.2210/pdb5v8r/pdb
• Related: 5V8P 5V8U
• Descriptor: Botulinum neurotoxin type A, ZINC ION, N-[4-(4-fluorophenyl)-1H-pyrazol-3-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: 102267.92

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; PubMed: 28698055; DOI: 10.1016/j.toxicon.2017.06.016

Experimental method

X-RAY DIFFRACTION (1.9 Å)