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Chlorine in PDB 5n9n: Crystal Structure of Human Protein Kinase CK2 Catalytic Subunit in Complex with the Atp-Competitive, Tight-Binding Dibenzofuran Inhibitor TF85 (4A)
Enzymatic activity of Crystal Structure of Human Protein Kinase CK2 Catalytic Subunit in Complex with the Atp-Competitive, Tight-Binding Dibenzofuran Inhibitor TF85 (4A)
All present enzymatic activity of Crystal Structure of Human Protein Kinase CK2 Catalytic Subunit in Complex with the Atp-Competitive, Tight-Binding Dibenzofuran Inhibitor TF85 (4A):
2.7.11.1;
2.7.11.1;
Protein crystallography data
The structure of Crystal Structure of Human Protein Kinase CK2 Catalytic Subunit in Complex with the Atp-Competitive, Tight-Binding Dibenzofuran Inhibitor TF85 (4A), PDB code: 5n9n
was solved by
A.Schnitzler,
A.Gratz,
A.Bollacke,
M.Weyrich,
U.Kucklaender,
B.Wuensch,
C.Goetz,
K.Niefind,
J.Jose,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 34.17 / 1.84 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 57.477, 45.505, 63.489, 90.00, 110.97, 90.00 |
| R / Rfree (%) | 16.7 / 20.1 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Human Protein Kinase CK2 Catalytic Subunit in Complex with the Atp-Competitive, Tight-Binding Dibenzofuran Inhibitor TF85 (4A)
(pdb code 5n9n). 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 Human Protein Kinase CK2 Catalytic Subunit in Complex with the Atp-Competitive, Tight-Binding Dibenzofuran Inhibitor TF85 (4A), PDB code: 5n9n:
Jump to Chlorine binding site number: 1; 2;
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Protein Kinase CK2 Catalytic Subunit in Complex with the Atp-Competitive, Tight-Binding Dibenzofuran Inhibitor TF85 (4A), PDB code: 5n9n:
Jump to Chlorine binding site number: 1; 2;
Chlorine binding site 1 out of 2 in 5n9n
Go back to
Chlorine Binding Sites List in 5n9n
Chlorine binding site 1 out
of 2 in the Crystal Structure of Human Protein Kinase CK2 Catalytic Subunit in Complex with the Atp-Competitive, Tight-Binding Dibenzofuran Inhibitor TF85 (4A)
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 Human Protein Kinase CK2 Catalytic Subunit in Complex with the Atp-Competitive, Tight-Binding Dibenzofuran Inhibitor TF85 (4A) within 5.0Å range:
|
Chlorine binding site 2 out of 2 in 5n9n
Go back to
Chlorine Binding Sites List in 5n9n
Chlorine binding site 2 out
of 2 in the Crystal Structure of Human Protein Kinase CK2 Catalytic Subunit in Complex with the Atp-Competitive, Tight-Binding Dibenzofuran Inhibitor TF85 (4A)
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 Human Protein Kinase CK2 Catalytic Subunit in Complex with the Atp-Competitive, Tight-Binding Dibenzofuran Inhibitor TF85 (4A) within 5.0Å range:
|
Reference:
A.Schnitzler,
A.Gratz,
A.Bollacke,
M.Weyrich,
U.Kucklander,
B.Wunsch,
C.Gotz,
K.Niefind,
J.Jose.
A Pi-Halogen Bond of Dibenzofuranones with the Gatekeeper PHE113 in Human Protein Kinase CK2 Leads to Potent Tight Binding Inhibitors. Pharmaceuticals V. 11 2018.
ISSN: ESSN 1424-8247
PubMed: 29462988
DOI: 10.3390/PH11010023
Page generated: Sat Dec 12 12:08:47 2020
ISSN: ESSN 1424-8247
PubMed: 29462988
DOI: 10.3390/PH11010023
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