Fluorine in PDB 8txe: Crystal Structure of Kras G12D in Complex with Gdp and Compound 5
Enzymatic activity of Crystal Structure of Kras G12D in Complex with Gdp and Compound 5
All present enzymatic activity of Crystal Structure of Kras G12D in Complex with Gdp and Compound 5:
3.6.5.2;
3.6.5.2;
Protein crystallography data
The structure of Crystal Structure of Kras G12D in Complex with Gdp and Compound 5, PDB code: 8txe
was solved by
P.Chen,
A.Irimia,
Z.Yang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 29.77 / 1.35 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 37.815, 62.166, 71.925, 90, 91.86, 90 |
| R / Rfree (%) | 18.8 / 21.5 |
Other elements in 8txe:
The structure of Crystal Structure of Kras G12D in Complex with Gdp and Compound 5 also contains other interesting chemical elements:
| Chlorine | (Cl) | 2 atoms |
| Magnesium | (Mg) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 5
(pdb code 8txe). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 10 binding sites of Fluorine where determined in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 5, PDB code: 8txe:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;
In total 10 binding sites of Fluorine where determined in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 5, PDB code: 8txe:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;
Fluorine binding site 1 out of 10 in 8txe
Go back to
Fluorine Binding Sites List in 8txe
Fluorine binding site 1 out
of 10 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 5
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 Kras G12D in Complex with Gdp and Compound 5 within 5.0Å range:
|
Fluorine binding site 2 out of 10 in 8txe
Go back to
Fluorine Binding Sites List in 8txe
Fluorine binding site 2 out
of 10 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 5
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 Kras G12D in Complex with Gdp and Compound 5 within 5.0Å range:
|
Fluorine binding site 3 out of 10 in 8txe
Go back to
Fluorine Binding Sites List in 8txe
Fluorine binding site 3 out
of 10 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 5
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 Kras G12D in Complex with Gdp and Compound 5 within 5.0Å range:
|
Fluorine binding site 4 out of 10 in 8txe
Go back to
Fluorine Binding Sites List in 8txe
Fluorine binding site 4 out
of 10 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 5
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 Kras G12D in Complex with Gdp and Compound 5 within 5.0Å range:
|
Fluorine binding site 5 out of 10 in 8txe
Go back to
Fluorine Binding Sites List in 8txe
Fluorine binding site 5 out
of 10 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 5
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 Crystal Structure of Kras G12D in Complex with Gdp and Compound 5 within 5.0Å range:
|
Fluorine binding site 6 out of 10 in 8txe
Go back to
Fluorine Binding Sites List in 8txe
Fluorine binding site 6 out
of 10 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 5
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 Crystal Structure of Kras G12D in Complex with Gdp and Compound 5 within 5.0Å range:
|
Fluorine binding site 7 out of 10 in 8txe
Go back to
Fluorine Binding Sites List in 8txe
Fluorine binding site 7 out
of 10 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 5
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 7 of Crystal Structure of Kras G12D in Complex with Gdp and Compound 5 within 5.0Å range:
|
Fluorine binding site 8 out of 10 in 8txe
Go back to
Fluorine Binding Sites List in 8txe
Fluorine binding site 8 out
of 10 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 5
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 8 of Crystal Structure of Kras G12D in Complex with Gdp and Compound 5 within 5.0Å range:
|
Fluorine binding site 9 out of 10 in 8txe
Go back to
Fluorine Binding Sites List in 8txe
Fluorine binding site 9 out
of 10 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 5
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 9 of Crystal Structure of Kras G12D in Complex with Gdp and Compound 5 within 5.0Å range:
|
Fluorine binding site 10 out of 10 in 8txe
Go back to
Fluorine Binding Sites List in 8txe
Fluorine binding site 10 out
of 10 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 5
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 10 of Crystal Structure of Kras G12D in Complex with Gdp and Compound 5 within 5.0Å range:
|
Reference:
H.Cheng,
P.Li,
P.Chen,
A.Irimia,
J.H.Bae,
A.Brooun,
P.Fagan,
R.Lam,
B.Lin,
J.Zhang,
X.Zhan,
X.Wu,
N.Xie,
G.Chiang,
R.Shoemaker,
J.M.Vernier.
Structure-Based Design and Synthesis of Potent and Selective Kras G12D Inhibitors. Acs Med.Chem.Lett. V. 14 1351 2023.
ISSN: ISSN 1948-5875
PubMed: 37849557
DOI: 10.1021/ACSMEDCHEMLETT.3C00245
Page generated: Sat Aug 3 00:42:54 2024
ISSN: ISSN 1948-5875
PubMed: 37849557
DOI: 10.1021/ACSMEDCHEMLETT.3C00245
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