Fluorine in PDB 8e5n: Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10
Enzymatic activity of Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10
All present enzymatic activity of Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10:
3.5.3.1;
3.5.3.1;
Protein crystallography data
The structure of Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10, PDB code: 8e5n
was solved by
R.L.Palte,
S.Gathiaka,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 71.88 / 2.54 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 53.423, 287.535, 67.351, 90, 90.2, 90 |
| R / Rfree (%) | 23.7 / 29.6 |
Other elements in 8e5n:
The structure of Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10 also contains other interesting chemical elements:
| Manganese | (Mn) | 12 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10
(pdb code 8e5n). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10, PDB code: 8e5n:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10, PDB code: 8e5n:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 8e5n
Go back to
Fluorine Binding Sites List in 8e5n
Fluorine binding site 1 out
of 6 in the Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10
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 Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10 within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 8e5n
Go back to
Fluorine Binding Sites List in 8e5n
Fluorine binding site 2 out
of 6 in the Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10
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 Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10 within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 8e5n
Go back to
Fluorine Binding Sites List in 8e5n
Fluorine binding site 3 out
of 6 in the Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10
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 Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10 within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 8e5n
Go back to
Fluorine Binding Sites List in 8e5n
Fluorine binding site 4 out
of 6 in the Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10
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 Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10 within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 8e5n
Go back to
Fluorine Binding Sites List in 8e5n
Fluorine binding site 5 out
of 6 in the Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10
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 5 of Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10 within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 8e5n
Go back to
Fluorine Binding Sites List in 8e5n
Fluorine binding site 6 out
of 6 in the Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10
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 6 of Structure of ARG1 Complex with Pyrrolidine-Based Non-Boronic Acid Inhibitor 10 within 5.0Å range:
|
Reference:
S.Gathiaka,
R.L.Palte,
S.S.So,
X.Chai,
J.Richard Miller,
R.Kuvelkar,
J.Wen,
S.Cifelli,
A.Kreamer,
A.Liaw,
D.G.Mclaren,
C.Fischer.
Discovery of Non-Boronic Acid Arginase 1 Inhibitors Through Virtual Screening and Biophysical Methods. Bioorg.Med.Chem.Lett. 29193 2023.
ISSN: ESSN 1464-3405
PubMed: 36822300
DOI: 10.1016/J.BMCL.2023.129193
Page generated: Fri Aug 2 17:50:14 2024
ISSN: ESSN 1464-3405
PubMed: 36822300
DOI: 10.1016/J.BMCL.2023.129193
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