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Fluorine in PDB 6es0: Crystal Structure of the Kinase Domain of Human RIPK2 in Complex with the Activation Loop Targeting Inhibitor Cs-R35
Enzymatic activity of Crystal Structure of the Kinase Domain of Human RIPK2 in Complex with the Activation Loop Targeting Inhibitor Cs-R35
All present enzymatic activity of Crystal Structure of the Kinase Domain of Human RIPK2 in Complex with the Activation Loop Targeting Inhibitor Cs-R35:
2.7.10.2; 2.7.11.1;
2.7.10.2; 2.7.11.1;
Protein crystallography data
The structure of Crystal Structure of the Kinase Domain of Human RIPK2 in Complex with the Activation Loop Targeting Inhibitor Cs-R35, PDB code: 6es0
was solved by
D.M.Pinkas,
J.C.Bufton,
C.Suebsuwong,
S.S.Ray,
B.Dai,
J.A.Newman,
N.A.Burgess-Brown,
F.Von Delft,
C.H.Arrowsmith,
A.M.Edwards,
C.Bountra,
A.Degterev,
G.D.Cuny,
A.N.Bullock,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 71.74 / 2.38 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 61.980, 83.740, 139.100, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 21.4 / 25.8 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of the Kinase Domain of Human RIPK2 in Complex with the Activation Loop Targeting Inhibitor Cs-R35
(pdb code 6es0). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of the Kinase Domain of Human RIPK2 in Complex with the Activation Loop Targeting Inhibitor Cs-R35, PDB code: 6es0:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Crystal Structure of the Kinase Domain of Human RIPK2 in Complex with the Activation Loop Targeting Inhibitor Cs-R35, PDB code: 6es0:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 6es0
Go back to
Fluorine Binding Sites List in 6es0
Fluorine binding site 1 out
of 4 in the Crystal Structure of the Kinase Domain of Human RIPK2 in Complex with the Activation Loop Targeting Inhibitor Cs-R35
Mono view
Stereo pair view
Mono view
Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of the Kinase Domain of Human RIPK2 in Complex with the Activation Loop Targeting Inhibitor Cs-R35 within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 6es0
Go back to
Fluorine Binding Sites List in 6es0
Fluorine binding site 2 out
of 4 in the Crystal Structure of the Kinase Domain of Human RIPK2 in Complex with the Activation Loop Targeting Inhibitor Cs-R35
Mono view
Stereo pair view
Mono view
Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of the Kinase Domain of Human RIPK2 in Complex with the Activation Loop Targeting Inhibitor Cs-R35 within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 6es0
Go back to
Fluorine Binding Sites List in 6es0
Fluorine binding site 3 out
of 4 in the Crystal Structure of the Kinase Domain of Human RIPK2 in Complex with the Activation Loop Targeting Inhibitor Cs-R35
Mono view
Stereo pair view
Mono view
Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of the Kinase Domain of Human RIPK2 in Complex with the Activation Loop Targeting Inhibitor Cs-R35 within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 6es0
Go back to
Fluorine Binding Sites List in 6es0
Fluorine binding site 4 out
of 4 in the Crystal Structure of the Kinase Domain of Human RIPK2 in Complex with the Activation Loop Targeting Inhibitor Cs-R35
Mono view
Stereo pair view
Mono view
Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structure of the Kinase Domain of Human RIPK2 in Complex with the Activation Loop Targeting Inhibitor Cs-R35 within 5.0Å range:
|
Reference:
C.Suebsuwong,
D.M.Pinkas,
S.S.Ray,
J.C.Bufton,
B.Dai,
A.N.Bullock,
A.Degterev,
G.D.Cuny.
Activation Loop Targeting Strategy For Design of Receptor-Interacting Protein Kinase 2 (RIPK2) Inhibitors. Bioorg. Med. Chem. Lett. V. 28 577 2018.
ISSN: ESSN 1464-3405
PubMed: 29409752
DOI: 10.1016/J.BMCL.2018.01.044
Page generated: Thu Aug 1 19:45:25 2024
ISSN: ESSN 1464-3405
PubMed: 29409752
DOI: 10.1016/J.BMCL.2018.01.044
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