Fluorine in PDB 8txh: Crystal Structure of Kras G12D in Complex with Gdp and Compound 14
Enzymatic activity of Crystal Structure of Kras G12D in Complex with Gdp and Compound 14
All present enzymatic activity of Crystal Structure of Kras G12D in Complex with Gdp and Compound 14:
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 14, PDB code: 8txh
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) | 29.64 / 1.20 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 37.475, 62.392, 72.132, 90, 91.86, 90 |
| R / Rfree (%) | 19 / 20.3 |
Other elements in 8txh:
The structure of Crystal Structure of Kras G12D in Complex with Gdp and Compound 14 also contains other interesting chemical elements:
| Magnesium | (Mg) | 2 atoms |
Fluorine Binding Sites:
Pages:
>>> Page 1 <<< Page 2, Binding sites: 11 - 12;Binding sites:
The binding sites of Fluorine atom in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 14 (pdb code 8txh). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.In total 12 binding sites of Fluorine where determined in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 14, PDB code: 8txh:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;
Fluorine binding site 1 out of 12 in 8txh
Go back to
Fluorine Binding Sites List in 8txh
Fluorine binding site 1 out
of 12 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 14
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 14 within 5.0Å range:
|
Fluorine binding site 2 out of 12 in 8txh
Go back to
Fluorine Binding Sites List in 8txh
Fluorine binding site 2 out
of 12 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 14
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 14 within 5.0Å range:
|
Fluorine binding site 3 out of 12 in 8txh
Go back to
Fluorine Binding Sites List in 8txh
Fluorine binding site 3 out
of 12 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 14
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 14 within 5.0Å range:
|
Fluorine binding site 4 out of 12 in 8txh
Go back to
Fluorine Binding Sites List in 8txh
Fluorine binding site 4 out
of 12 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 14
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 14 within 5.0Å range:
|
Fluorine binding site 5 out of 12 in 8txh
Go back to
Fluorine Binding Sites List in 8txh
Fluorine binding site 5 out
of 12 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 14
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 14 within 5.0Å range:
|
Fluorine binding site 6 out of 12 in 8txh
Go back to
Fluorine Binding Sites List in 8txh
Fluorine binding site 6 out
of 12 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 14
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 14 within 5.0Å range:
|
Fluorine binding site 7 out of 12 in 8txh
Go back to
Fluorine Binding Sites List in 8txh
Fluorine binding site 7 out
of 12 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 14
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 14 within 5.0Å range:
|
Fluorine binding site 8 out of 12 in 8txh
Go back to
Fluorine Binding Sites List in 8txh
Fluorine binding site 8 out
of 12 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 14
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 14 within 5.0Å range:
|
Fluorine binding site 9 out of 12 in 8txh
Go back to
Fluorine Binding Sites List in 8txh
Fluorine binding site 9 out
of 12 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 14
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 14 within 5.0Å range:
|
Fluorine binding site 10 out of 12 in 8txh
Go back to
Fluorine Binding Sites List in 8txh
Fluorine binding site 10 out
of 12 in the Crystal Structure of Kras G12D in Complex with Gdp and Compound 14
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 14 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 00:42:55 2024
ISSN: ISSN 1948-5875
PubMed: 37849557
DOI: 10.1021/ACSMEDCHEMLETT.3C00245
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