Brand  (β version)

PDB ID: 4ELC

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Ligands
Code Name Style Show Link
DMS Dimethyl sulfoxide PoSSuM
IMD Imidazole PoSSuM
LI Lithium ion PoSSuM
LMR (2s)-2-hydroxybutanedioic acid PoSSuM
MPD (4s)-2-methyl-2,4-pentanediol PoSSuM
SO4 Sulfate ion PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
Code Name Show
0QL 3-[(2-aminoethyl)disulfanyl]-L-alanine
Glycosylation
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Structure summary

Code : 4ELC   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134 mutant with MTSEA modified Cys-165
Release Data : 2012-08-15
Compound :
mol_id molecule chains synonym
1 Botulinum neurotoxin A light chain A BoNT/A, Bontoxilysin-A, BOTOX
ec: 3.4.24.69
fragment: UNP residues 1-425
mutation: C134S
Source :
mol_id organism_scientific expression_system
1 Clostridium botulinum  (taxid:1491) Escherichia coli  (taxid:562)
strain: Hall ATCC 3502
gene: atx, bna, bont/a, botA
expression_system_strain: Rosetta DE3
expression_system_vector_type: PLASMID
expression_system_plasmid: pET28a+
Authors : Stura, E.A., Vera, L., Ptchelkine, D., Bakirci, H., Garcia, S., Dive, V.
Keywords : Metalloprotease, peptidase M27 superfamily, Clostridial neurotoxin zinc protease, Human target snap-25, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 1.80 Å )
Citation :

Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165.

Stura, E.A.,Le Roux, L.,Guitot, K.  et al.
(2012)  J.Biol.Chem.  287 : 33607 - 33614

PubMed: 22869371
DOI: 10.1074/jbc.M112.396697

Reaction

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