Fluorine in PDB 8gd7: Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor
Enzymatic activity of Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor
All present enzymatic activity of Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor:
2.7.7.7;
2.7.7.7;
Protein crystallography data
The structure of Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor, PDB code: 8gd7
was solved by
W.A.Fried,
X.S.Chen,
S.X.Li,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 42.86 / 3.24 |
| Space group | P 31 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 171.433, 171.433, 63.167, 90, 90, 120 |
| R / Rfree (%) | 22.8 / 24.4 |
Other elements in 8gd7:
The structure of Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor also contains other interesting chemical elements:
| Magnesium | (Mg) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor
(pdb code 8gd7). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 7 binding sites of Fluorine where determined in the Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor, PDB code: 8gd7:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7;
In total 7 binding sites of Fluorine where determined in the Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor, PDB code: 8gd7:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7;
Fluorine binding site 1 out of 7 in 8gd7
Go back to
Fluorine Binding Sites List in 8gd7
Fluorine binding site 1 out
of 7 in the Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor
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 Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor within 5.0Å range:
|
Fluorine binding site 2 out of 7 in 8gd7
Go back to
Fluorine Binding Sites List in 8gd7
Fluorine binding site 2 out
of 7 in the Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor
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 Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor within 5.0Å range:
|
Fluorine binding site 3 out of 7 in 8gd7
Go back to
Fluorine Binding Sites List in 8gd7
Fluorine binding site 3 out
of 7 in the Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor
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 Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor within 5.0Å range:
|
Fluorine binding site 4 out of 7 in 8gd7
Go back to
Fluorine Binding Sites List in 8gd7
Fluorine binding site 4 out
of 7 in the Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor
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 Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor within 5.0Å range:
|
Fluorine binding site 5 out of 7 in 8gd7
Go back to
Fluorine Binding Sites List in 8gd7
Fluorine binding site 5 out
of 7 in the Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor
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 Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor within 5.0Å range:
|
Fluorine binding site 6 out of 7 in 8gd7
Go back to
Fluorine Binding Sites List in 8gd7
Fluorine binding site 6 out
of 7 in the Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor
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 Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor within 5.0Å range:
|
Fluorine binding site 7 out of 7 in 8gd7
Go back to
Fluorine Binding Sites List in 8gd7
Fluorine binding site 7 out
of 7 in the Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor
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 Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor within 5.0Å range:
|
Reference:
W.Fried,
M.Tyagi,
L.Minakhin,
G.Chandramouly,
T.Tredinnick,
M.Ramanjulu,
W.Auerbacher,
M.Calbert,
T.Rusanov,
T.Hoang,
N.Borisonnik,
R.Betsch,
J.J.Krais,
Y.Wang,
U.M.Vekariya,
J.Gordon,
G.Morton,
T.Kent,
T.Skorski,
N.Johnson,
W.Childers,
X.S.Chen,
R.T.Pomerantz.
Discovery of A Small-Molecule Inhibitor That Traps Pol Theta on Dna and Synergizes with Parp Inhibitors. Nat Commun V. 15 2862 2024.
ISSN: ESSN 2041-1723
PubMed: 38580648
DOI: 10.1038/S41467-024-46593-1
Page generated: Fri Aug 2 19:46:19 2024
ISSN: ESSN 2041-1723
PubMed: 38580648
DOI: 10.1038/S41467-024-46593-1
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