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PDB 7aw2-7b1n »
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Chlorine in PDB 7aw3: Mertk Kinase Domain with Type 1 Inhibitor From A Dna-Encoded Library
Enzymatic activity of Mertk Kinase Domain with Type 1 Inhibitor From A Dna-Encoded Library
All present enzymatic activity of Mertk Kinase Domain with Type 1 Inhibitor From A Dna-Encoded Library:
2.7.10.1;
2.7.10.1;
Protein crystallography data
The structure of Mertk Kinase Domain with Type 1 Inhibitor From A Dna-Encoded Library, PDB code: 7aw3
was solved by
M.Schimpl,
J.W.M.Nissink,
C.Blackett,
K.Goldberg,
E.J.Hennessy,
E.Hardaker,
W.Mccoull,
L.Mcmurray,
O.Collingwood,
R.Overman,
A.Pflug,
M.Preston,
P.Rawlins,
E.Rivers,
P.Smith,
E.Underwood,
C.Truman,
J.Warwicker,
J.Winter,
S.Woodcock,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 48.09 / 1.99 |
| Space group | C 2 2 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 91.6, 91.9, 71.66, 90, 90, 90 |
| R / Rfree (%) | 21.6 / 24.5 |
Other elements in 7aw3:
The structure of Mertk Kinase Domain with Type 1 Inhibitor From A Dna-Encoded Library also contains other interesting chemical elements:
| Fluorine | (F) | 3 atoms |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Mertk Kinase Domain with Type 1 Inhibitor From A Dna-Encoded Library
(pdb code 7aw3). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Mertk Kinase Domain with Type 1 Inhibitor From A Dna-Encoded Library, PDB code: 7aw3:
In total only one binding site of Chlorine was determined in the Mertk Kinase Domain with Type 1 Inhibitor From A Dna-Encoded Library, PDB code: 7aw3:
Chlorine binding site 1 out of 1 in 7aw3
Go back to
Chlorine Binding Sites List in 7aw3
Chlorine binding site 1 out
of 1 in the Mertk Kinase Domain with Type 1 Inhibitor From A Dna-Encoded Library
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 Mertk Kinase Domain with Type 1 Inhibitor From A Dna-Encoded Library within 5.0Å range:
|
Reference:
J.W.M.Nissink,
C.Blackett,
M.Clarke,
J.Disch,
K.Goldberg,
J.Guilinger,
E.J.Hennessy,
R.Jetson,
D.Ginkunja,
E.Hardaker,
A.Keefe,
W.Mccoull,
L.Mcmurray,
O.Collingwood,
R.Overman,
A.Pflug,
M.Preston,
P.Rawlins,
E.Rivers,
M.Schimpl,
P.Smith,
E.Underwood,
C.Truman,
J.Warwicker,
J.Winter,
S.Woodcock,
Y.Zhang.
Generating Selective Leads For Mer Kinase Inhibitors - Example of A Comprehensive Lead-Generation Strategy J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
Page generated: Mon Jul 29 18:46:44 2024
ISSN: ISSN 0022-2623
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