Brand  (β version)

PDB ID: 4KUF

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Ligands
Code Name Style Show Link
DMS Dimethyl sulfoxide PoSSuM
EDO 1,2-ethanediol PoSSuM
GOL Glycerol PoSSuM
LMR (2s)-2-hydroxybutanedioic acid PoSSuM
NA Sodium ion PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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0QL 3-[(2-aminoethyl)disulfanyl]-L-alanine
Glycosylation
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Modification
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Structure summary

Code : 4KUF   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 causing stretch disorder
Release Data : 2014-07-09
Compound :
mol_id molecule chains synonym
1 Botulinum neurotoxin A light chain A Botulinum neurotoxin type A, BoNT/A, Bontoxilysin-A, BOTOX
ec: 3.4.24.69
fragment: Catalytic domain residues 1-425
mutation: C134S
Source :
mol_id organism_scientific expression_system
1 Clostridium botulinum A  (taxid:441771) Escherichia coli  (taxid:562)
strain: strain Hall / ATCC 3502 / NCTC 13319 / Type A
gene: botA, CBO0806, CLC_0862
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 : Clostridial neurotoxin zinc protease, Peptidase_M27, SNAP 25, covalent inhibition, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 1.697 Å )
Citation :

Covalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A

Guitot, K.,Vera, L.,Le Roux, L.  et al.
To be Published 

Reaction

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