3QIY

Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-1

Summary for 3QIY

Entry DOI	10.2210/pdb3qiy/pdb
Related	3QIX 3QIZ 3QJ0
Descriptor	Botulinum neurotoxin type A, ZINC ION, 4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide, ... (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	49932.48
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 Cited by PubMed: 21434688 DOI: 10.1021/bi2001483 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation