3QIZ

Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-2

Summary for 3QIZ

• Entry DOI: 10.2210/pdb3qiz/pdb
• Related: 3QIX 3QIY 3QJ0
• Descriptor: Botulinum neurotoxin type A, ZINC ION, (2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide, ... (5 entities in total)
• Functional Keywords: botulinum, bont, neurotoxin, toxin, hydroxamate, inhibitor, metalloprotease, protease, 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: A5HZZ9
• Total number of polymer chains: 1
• Total formula weight: 49981.71

Authors

Thompson, A.A.,Han, G.W.,Stevens, R.C. (deposition date: 2011-01-28, release date: 2011-04-13, Last modification date: 2023-09-13)

• Primary citation: Thompson, A.A.,Jiao, G.S.,Kim, S.,Thai, A.,Cregar-Hernandez, L.,Margosiak, S.A.,Johnson, A.T.,Han, G.W.,O'Malley, S.,Stevens, R.C.; Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.; Biochemistry, 50:4019-4028, 2011; PubMed: 21434688; DOI: 10.1021/bi2001483

Experimental method

X-RAY DIFFRACTION (2 Å)