Brand  (β version)

PDB ID: 3DS9

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Ligands
Code Name Style Show Link
NI Nickel (II) ion PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
Code Name Show
01W (2s)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate
DAB 2,4-diaminobutyric acid
Glycosylation
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Modification
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Structure summary

Code : 3DS9   PDBj   RCSB PDB   PDBe
Header : Hydrolase, Toxin
Title : A potent peptidomimetic inhibitor of botulinum neurotoxin serotype A has a very different conformation than SNAP-25 substrate
Release Data : 2008-09-30
Compound :
mol_id molecule chains synonym
1 Botulinum neurotoxin type A A BoNT/A, Bontoxilysin-A, BOTOX, Botulinum neurotoxin A light chain
ec: 3.4.24.69
fragment: light chain
mutation: residues 2-420
mol_id molecule chains
2 octapeptide I1 inhibitor B
other_details: SNAP-25-derived peptide with three modified amino acids
Source :
mol_id organism_scientific expression_system
1 Clostridium botulinum  (taxid:1491) Escherichia coli  (taxid:562)
strain: Hall
gene: botA, CBO0806, CLC_0862
expression_system_strain: BL21
expression_system_vector_type: plasmid
mol_id organism_scientific
2
synthetic: yes
Authors : Zuniga, J.E., Fenn, T.
Keywords : SNARE, botulism, inhibition, metalloprotease, neurotransmission, neuromuscular junction, Hydrolase, Membrane, Metal-binding, Neurotoxin, Pharmaceutical, Protease, Secreted, Toxin, Transmembrane, Zinc
Exp. method : X-RAY DIFFRACTION ( 1.758 Å )
Citation :

A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has a Very Different Conformation than SNAP-25 Substrate

Zuniga, J.E.,Schmidt, J.J.,Fenn, T.  et al.
(2008)  Structure  16 : 1588 - 1597

PubMed: 18940613
DOI: 10.1016/j.str.2008.07.011

Reaction

Chain : A
UniProt : A5HZZ9 (multiple entry names are found)
Reaction : -