3QW8

Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor CRGC

Summary for 3QW8

Entry DOI	10.2210/pdb3qw8/pdb
Related	3BWI 3C88 3C89 3C8A 3C8B 3DDA 3DDB 3QW5 3QW6 3QW7
Descriptor	Botulinum neurotoxin type A, inhibitory peptide CRGC, ZINC ION, ... (7 entities in total)
Functional Keywords	endopeptidase, syntaxin, bio-warfare agent, membrane, metal-binding, metalloprotease, protease, secreted, transmembrane, snap25, 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	2
Total formula weight	50290.94
Authors	Kumaran, D.,Swaminathan, S. (deposition date: 2011-02-27, release date: 2012-02-08, Last modification date: 2023-09-13)
Primary citation	Kumar, G.,Kumaran, D.,Ahmed, S.A.,Swaminathan, S. Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling. Acta Crystallogr.,Sect.D, 68:511-520, 2012 Cited by PubMed: 22525749 DOI: 10.1107/S0907444912003551 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.6 Å)

Structure validation