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Fluorine in PDB 8jjs: Human K-Ras G12D (Gdp-Bound) in Complex with Cyclic Peptide Inhibitor AP10343
Protein crystallography data
The structure of Human K-Ras G12D (Gdp-Bound) in Complex with Cyclic Peptide Inhibitor AP10343, PDB code: 8jjs
was solved by
M.Irie,
T.A.Fukami,
M.Tanada,
A.Ohta,
T.Torizawa,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 57.67 / 1.53 |
| Space group | P 61 |
| Cell size a, b, c (Å), α, β, γ (°) | 66.596, 66.596, 86.613, 90, 90, 120 |
| R / Rfree (%) | 22.1 / 24.2 |
Other elements in 8jjs:
The structure of Human K-Ras G12D (Gdp-Bound) in Complex with Cyclic Peptide Inhibitor AP10343 also contains other interesting chemical elements:
| Magnesium | (Mg) | 1 atom |
| Chlorine | (Cl) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Human K-Ras G12D (Gdp-Bound) in Complex with Cyclic Peptide Inhibitor AP10343
(pdb code 8jjs). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Human K-Ras G12D (Gdp-Bound) in Complex with Cyclic Peptide Inhibitor AP10343, PDB code: 8jjs:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Human K-Ras G12D (Gdp-Bound) in Complex with Cyclic Peptide Inhibitor AP10343, PDB code: 8jjs:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 8jjs
Go back to
Fluorine Binding Sites List in 8jjs
Fluorine binding site 1 out
of 3 in the Human K-Ras G12D (Gdp-Bound) in Complex with Cyclic Peptide Inhibitor AP10343
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 Human K-Ras G12D (Gdp-Bound) in Complex with Cyclic Peptide Inhibitor AP10343 within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 8jjs
Go back to
Fluorine Binding Sites List in 8jjs
Fluorine binding site 2 out
of 3 in the Human K-Ras G12D (Gdp-Bound) in Complex with Cyclic Peptide Inhibitor AP10343
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 Human K-Ras G12D (Gdp-Bound) in Complex with Cyclic Peptide Inhibitor AP10343 within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 8jjs
Go back to
Fluorine Binding Sites List in 8jjs
Fluorine binding site 3 out
of 3 in the Human K-Ras G12D (Gdp-Bound) in Complex with Cyclic Peptide Inhibitor AP10343
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 Human K-Ras G12D (Gdp-Bound) in Complex with Cyclic Peptide Inhibitor AP10343 within 5.0Å range:
|
Reference:
M.Tanada,
M.Tamiya,
A.Matsuo,
A.Chiyoda,
K.Takano,
T.Ito,
M.Irie,
T.Kotake,
R.Takeyama,
H.Kawada,
R.Hayashi,
S.Ishikawa,
K.Nomura,
N.Furuichi,
Y.Morita,
M.Kage,
S.Hashimoto,
K.Nii,
H.Sase,
K.Ohara,
A.Ohta,
S.Kuramoto,
Y.Nishimura,
H.Iikura,
T.Shiraishi.
Development of Orally Bioavailable Peptides Targeting An Intracellular Protein: From A Hit to A Clinical Kras Inhibitor J.Am.Chem.Soc. 2023.
ISSN: ESSN 1520-5126
DOI: 10.1021/JACS.3C03886
Page generated: Wed Jul 16 05:48:12 2025
ISSN: ESSN 1520-5126
DOI: 10.1021/JACS.3C03886
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