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Ligands
Code Name Style Show Link
ZN Zinc ion
90G N-[3-(4-chlorophenyl)-1h-pyrazol-5-yl]-2-sulfanylacetamide
Non-standard Residues
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Code : 5V8P   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Small Molecule Inhibitor ABS-143 Bound to the Botulinum Neurotoxin Serotype A Light Chain
Release Data : 2017-07-26
Compound :
mol_id molecule chains synonym
1 Botulinum neurotoxin type A A,B BoNT/A,Bontoxilysin-A,BOTOX
ec: 3.4.24.69
fragment: residues 1-424
mutation: P2Q
Source :
mol_id organism_scientific expression_system
1 Clostridium botulinum  (taxid:1491) Escherichia coli  (taxid:469008)
gene: botA, atx, bna
expression_system_strain: BL21(DE3)
expression_system_vector_type: Plasmid
expression_system_plasmid: pET15b
Authors : Allen, K.N., Silvaggi, N.R.
Keywords : metalloprotease, drug design, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.501 Å )
Citation :

Small molecule metalloprotease inhibitor with in vitro, ex vivo and in vivo efficacy against botulinum neurotoxin serotype A.

Jacobson, A.R.,Adler, M.,Silvaggi, N.R.  et al.
(2017)  Toxicon  137 : 36 - 47

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

Chain : A, B
UniProt : P10845 (multiple entry names are found)
Reaction : -