char = H;code = 72
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char = m;code = 109
char = o;code = 111
char = l;code = 108
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char = y;code = 121
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char = f;code = 102
char = ;code = 32
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char = s;code = 115
char = p;code = 112
char = h;code = 104
char = o;code = 111
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char = l;code = 108
char = ;code = 32
char = t;code = 116
char = h;code = 104
char = y;code = 121
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char = d;code = 100
char = i;code = 105
char = n;code = 110
char = e;code = 101
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char = k;code = 107
char = i;code = 105
char = n;code = 110
char = a;code = 97
char = s;code = 115
char = e;code = 101
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char = o;code = 111
char = f;code = 102
char = ;code = 32
char = e;code = 101
char = n;code = 110
char = t;code = 116
char = e;code = 101
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char = o;code = 111
char = h;code = 104
char = e;code = 101
char = m;code = 109
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char = r;code = 114
char = r;code = 114
char = h;code = 104
char = a;code = 97
char = g;code = 103
char = i;code = 105
char = c;code = 99
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char = E;code = 69
char = s;code = 115
char = c;code = 99
char = h;code = 104
char = e;code = 101
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char = c;code = 99
char = h;code = 104
char = i;code = 105
char = a;code = 97
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char = c;code = 99
char = o;code = 111
char = l;code = 108
char = i;code = 105
char = ;code = 32
char = O;code = 79
char = H;code = 72
char = :;code = 58
char = ;code = 32
char = 1;code = 49
char = 5;code = 53
char = 7;code = 55
char = .;code = 46
result sql = Homology modeling of phosphoryl thymidine kinase of enterohemorrhagic Escherichia coli OH: 157.
Homology modeling of phosphoryl thymidine kinase of enterohemorrhagic Escherichia coli OH: 157.
char = E;code = 69
char = n;code = 110
char = t;code = 116
char = e;code = 101
char = r;code = 114
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char = h;code = 104
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char = r;code = 114
char = h;code = 104
char = a;code = 97
char = g;code = 103
char = i;code = 105
char = c;code = 99
char = ;code = 32
char = E;code = 69
char = s;code = 115
char = c;code = 99
char = h;code = 104
char = e;code = 101
char = r;code = 114
char = i;code = 105
char = c;code = 99
char = h;code = 104
char = i;code = 105
char = a;code = 97
char = ;code = 32
char = c;code = 99
char = o;code = 111
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char = (;code = 40
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char = H;code = 72
char = E;code = 69
char = C;code = 67
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char = e;code = 101
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char = s;code = 115
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char = u;code = 117
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char = c;code = 99
char = e;code = 101
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char = o;code = 111
char = f;code = 102
char = ;code = 32
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char = m;code = 109
char = e;code = 101
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char = i;code = 105
char = n;code = 110
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char = i;code = 105
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char = e;code = 101
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char = I;code = 73
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char = e;code = 101
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char = c;code = 99
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char = i;code = 105
char = a;code = 97
char = ;code = 32
char = c;code = 99
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char = l;code = 108
char = i;code = 105
char = ;code = 32
char = O;code = 79
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char = 7;code = 55
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char = H;code = 72
char = 7;code = 55
char = ;code = 32
char = i;code = 105
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char = a;code = 97
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char = E;code = 69
char = H;code = 72
char = E;code = 69
char = C;code = 67
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char = s;code = 115
char = t;code = 116
char = r;code = 114
char = a;code = 97
char = i;code = 105
char = n;code = 110
char = ;code = 32
char = s;code = 115
char = h;code = 104
char = o;code = 111
char = w;code = 119
char = i;code = 105
char = n;code = 110
char = g;code = 103
char = ;code = 32
char = m;code = 109
char = u;code = 117
char = l;code = 108
char = t;code = 116
char = i;code = 105
char = p;code = 112
char = l;code = 108
char = e;code = 101
char = ;code = 32
char = a;code = 97
char = n;code = 110
char = t;code = 116
char = i;code = 105
char = b;code = 98
char = i;code = 105
char = o;code = 111
char = t;code = 116
char = i;code = 105
char = c;code = 99
char = ;code = 32
char = r;code = 114
char = e;code = 101
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char = s;code = 115
char = t;code = 116
char = a;code = 97
char = n;code = 110
char = c;code = 99
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char = d;code = 100
char = ;code = 32
char = t;code = 116
char = h;code = 104
char = e;code = 101
char = ;code = 32
char = c;code = 99
char = a;code = 97
char = u;code = 117
char = s;code = 115
char = e;code = 101
char = ;code = 32
char = o;code = 111
char = f;code = 102
char = ;code = 32
char = i;code = 105
char = n;code = 110
char = f;code = 102
char = a;code = 97
char = n;code = 110
char = t;code = 116
char = i;code = 105
char = l;code = 108
char = e;code = 101
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char = d;code = 100
char = i;code = 105
char = a;code = 97
char = r;code = 114
char = r;code = 114
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char = e;code = 101
char = a;code = 97
char = ;code = 32
char = a;code = 97
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char = d;code = 100
char = ;code = 32
char = h;code = 104
char = e;code = 101
char = m;code = 109
char = o;code = 111
char = l;code = 108
char = y;code = 121
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char = i;code = 105
char = c;code = 99
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char = u;code = 117
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char = e;code = 101
char = m;code = 109
char = i;code = 105
char = c;code = 99
char = ;code = 32
char = s;code = 115
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char = d;code = 100
char = r;code = 114
char = o;code = 111
char = m;code = 109
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char = w;code = 119
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char = d;code = 100
char = e;code = 101
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char = ;code = 32
char = A;code = 65
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char = v;code = 118
char = e;code = 101
char = l;code = 108
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char = s;code = 115
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char = r;code = 114
char = a;code = 97
char = t;code = 116
char = e;code = 101
char = g;code = 103
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char = ;code = 32
char = t;code = 116
char = o;code = 111
char = ;code = 32
char = c;code = 99
char = o;code = 111
char = u;code = 117
char = n;code = 110
char = t;code = 116
char = e;code = 101
char = r;code = 114
char = a;code = 97
char = c;code = 99
char = t;code = 116
char = ;code = 32
char = m;code = 109
char = u;code = 117
char = l;code = 108
char = t;code = 116
char = i;code = 105
char = p;code = 112
char = l;code = 108
char = e;code = 101
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char = a;code = 97
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char = i;code = 105
char = b;code = 98
char = i;code = 105
char = o;code = 111
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char = i;code = 105
char = c;code = 99
char = ;code = 32
char = r;code = 114
char = e;code = 101
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char = s;code = 115
char = t;code = 116
char = a;code = 97
char = n;code = 110
char = t;code = 116
char = ;code = 32
char = o;code = 111
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char = g;code = 103
char = a;code = 97
char = n;code = 110
char = i;code = 105
char = s;code = 115
char = m;code = 109
char = s;code = 115
char = ;code = 32
char = i;code = 105
char = s;code = 115
char = ;code = 32
char = t;code = 116
char = o;code = 111
char = ;code = 32
char = d;code = 100
char = e;code = 101
char = s;code = 115
char = i;code = 105
char = g;code = 103
char = n;code = 110
char = ;code = 32
char = d;code = 100
char = r;code = 114
char = u;code = 117
char = g;code = 103
char = s;code = 115
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char = h;code = 104
char = i;code = 105
char = c;code = 99
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char = e;code = 101
char = c;code = 99
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char = f;code = 102
char = i;code = 105
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char = a;code = 97
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char = l;code = 108
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char = r;code = 114
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char = e;code = 101
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char = m;code = 109
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char = t;code = 116
char = a;code = 97
char = b;code = 98
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char = i;code = 105
char = c;code = 99
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char = a;code = 97
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char = s;code = 115
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char = c;code = 99
char = h;code = 104
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char = a;code = 97
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char = t;code = 116
char = h;code = 104
char = i;code = 105
char = a;code = 97
char = m;code = 109
char = i;code = 105
char = n;code = 110
char = e;code = 101
char = ;code = 32
char = b;code = 98
char = i;code = 105
char = o;code = 111
char = s;code = 115
char = y;code = 121
char = n;code = 110
char = t;code = 116
char = h;code = 104
char = e;code = 101
char = t;code = 116
char = i;code = 105
char = c;code = 99
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char = p;code = 112
char = a;code = 97
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char = a;code = 97
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char = s;code = 115
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char = ;code = 32
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char = ;code = 32
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char = k;code = 107
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char = .;code = 46
char = ;code = 32
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char = m;code = 109
char = o;code = 111
char = l;code = 108
char = o;code = 111
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char = m;code = 109
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char = (;code = 40
char = T;code = 84
char = h;code = 104
char = i;code = 105
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char = E;code = 69
char = );code = 41
char = ;code = 32
char = u;code = 117
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char = G;code = 71
char = e;code = 101
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result sql = Enterohemorrhagic Escherichia coli (EHEC) are source of emerging infectious disease in India. Escherichia coli O157:H7 is an EHEC strain showing multiple antibiotic resistances and the cause of infantile diarrhea and hemolytic uremic syndrome worldwide. A novel strategy to counteract multiple antibiotic resistant organisms is to design drugs which specifically target metabolic pathways such as thiamine biosynthetic pathways found exclusively in prokaryotes. Homology modeling was used for model building of a terminal thiamine biosynthesis enzyme phosphoryl thymidine kinase (Thi E) using Geno3D, Swiss Model and Modeller. The best model was selected based on overall stereochemical quality. The potential ligand binding sites in the model were identified by CASTp server. The validated theoretical model of the 3D structure of the thiE protein of E. coli O157:H7 was predicted using a thiamine phosphate pyrophosphatase from Pyrococcus furiosus (PDB ID: 1X13_A) as template. The active pockets of ligand binding sites in the enzyme were identified. In this study, phosphoryl thymidine kinase (thi E), a terminal enzyme in the thiamine biosynthesis pathway in the pathogen has been modeled to be used in future as a potential drug target by the design of suitable inhibitors.

Publication: Bioinformation 2009 ;3(6)::240-3.
Publication Date: 2009
Study Author(s): Kaistha, Shilpa Deshpande;Sinha, Ranjana;
Institution: Department of Bioinformatics, University Institute of Engineering Technology, Kanpur 208024, UP, India. [email protected]
Shortcut link to this study:
Enterohemorrhagic Escherichia coli (EHEC) are source of emerging infectious disease in India. Escherichia coli O157:H7 is an EHEC strain showing multiple antibiotic resistances and the cause of infantile diarrhea and hemolytic uremic syndrome worldwide. A novel strategy to counteract multiple antibiotic resistant organisms is to design drugs which specifically target metabolic pathways such as thiamine biosynthetic pathways found exclusively in prokaryotes. Homology modeling was used for model building of a terminal thiamine biosynthesis enzyme phosphoryl thymidine kinase (Thi E) using Geno3D, Swiss Model and Modeller. The best model was selected based on overall stereochemical quality. The potential ligand binding sites in the model were identified by CASTp server. The validated theoretical model of the 3D structure of the thiE protein of E. coli O157:H7 was predicted using a thiamine phosphate pyrophosphatase from Pyrococcus furiosus (PDB ID: 1X13_A) as template. The active pockets of ligand binding sites in the enzyme were identified. In this study, phosphoryl thymidine kinase (thi E), a terminal enzyme in the thiamine biosynthesis pathway in the pathogen has been modeled to be used in future as a potential drug target by the design of suitable inhibitors.
PMID: 19255642

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