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Chlorine in PDB 4o6l: Crystal Structure of Ttk Kinase Domain with An Inhibitor: 401498 (N- [(1R)-1-(2-Chlorophenyl)Propyl]-3-{4-[(1-Methylpiperidin-4-Yl) Oxy]Phenyl}-1H-Indazole-5-Carboxamide)
Enzymatic activity of Crystal Structure of Ttk Kinase Domain with An Inhibitor: 401498 (N- [(1R)-1-(2-Chlorophenyl)Propyl]-3-{4-[(1-Methylpiperidin-4-Yl) Oxy]Phenyl}-1H-Indazole-5-Carboxamide)
All present enzymatic activity of Crystal Structure of Ttk Kinase Domain with An Inhibitor: 401498 (N- [(1R)-1-(2-Chlorophenyl)Propyl]-3-{4-[(1-Methylpiperidin-4-Yl) Oxy]Phenyl}-1H-Indazole-5-Carboxamide):
2.7.12.1;
2.7.12.1;
Protein crystallography data
The structure of Crystal Structure of Ttk Kinase Domain with An Inhibitor: 401498 (N- [(1R)-1-(2-Chlorophenyl)Propyl]-3-{4-[(1-Methylpiperidin-4-Yl) Oxy]Phenyl}-1H-Indazole-5-Carboxamide), PDB code: 4o6l
was solved by
W.Qiu,
O.Plotnikova,
M.Feher,
D.E.Awrey,
N.Y.Chirgadze,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 38.27 / 2.38 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 153.232, 70.260, 106.889, 90.00, 133.14, 90.00 |
| R / Rfree (%) | 21 / 25 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Ttk Kinase Domain with An Inhibitor: 401498 (N- [(1R)-1-(2-Chlorophenyl)Propyl]-3-{4-[(1-Methylpiperidin-4-Yl) Oxy]Phenyl}-1H-Indazole-5-Carboxamide)
(pdb code 4o6l). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Ttk Kinase Domain with An Inhibitor: 401498 (N- [(1R)-1-(2-Chlorophenyl)Propyl]-3-{4-[(1-Methylpiperidin-4-Yl) Oxy]Phenyl}-1H-Indazole-5-Carboxamide), PDB code: 4o6l:
Jump to Chlorine binding site number: 1; 2;
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Ttk Kinase Domain with An Inhibitor: 401498 (N- [(1R)-1-(2-Chlorophenyl)Propyl]-3-{4-[(1-Methylpiperidin-4-Yl) Oxy]Phenyl}-1H-Indazole-5-Carboxamide), PDB code: 4o6l:
Jump to Chlorine binding site number: 1; 2;
Chlorine binding site 1 out of 2 in 4o6l
Go back to
Chlorine Binding Sites List in 4o6l
Chlorine binding site 1 out
of 2 in the Crystal Structure of Ttk Kinase Domain with An Inhibitor: 401498 (N- [(1R)-1-(2-Chlorophenyl)Propyl]-3-{4-[(1-Methylpiperidin-4-Yl) Oxy]Phenyl}-1H-Indazole-5-Carboxamide)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Ttk Kinase Domain with An Inhibitor: 401498 (N- [(1R)-1-(2-Chlorophenyl)Propyl]-3-{4-[(1-Methylpiperidin-4-Yl) Oxy]Phenyl}-1H-Indazole-5-Carboxamide) within 5.0Å range:
|
Chlorine binding site 2 out of 2 in 4o6l
Go back to
Chlorine Binding Sites List in 4o6l
Chlorine binding site 2 out
of 2 in the Crystal Structure of Ttk Kinase Domain with An Inhibitor: 401498 (N- [(1R)-1-(2-Chlorophenyl)Propyl]-3-{4-[(1-Methylpiperidin-4-Yl) Oxy]Phenyl}-1H-Indazole-5-Carboxamide)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of Ttk Kinase Domain with An Inhibitor: 401498 (N- [(1R)-1-(2-Chlorophenyl)Propyl]-3-{4-[(1-Methylpiperidin-4-Yl) Oxy]Phenyl}-1H-Indazole-5-Carboxamide) within 5.0Å range:
|
Reference:
W.Qiu,
O.Plotnikova,
M.Feher,
D.E.Awrey,
N.Y.Chirgadze.
Crystal Structure of Ttk Kinase Domain with An Inhibitor: 401498 To Be Published.
Page generated: Sat Dec 12 11:00:07 2020
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