Fluorine in PDB 7so6: Crystal Structure of Hiv-1 K103N, Y181C Mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl) Ethoxy)Phenoxy)-7-Fluoro-2-Naphthonitrile (JLJ635), A Non-Nucleoside Inhibitor
Enzymatic activity of Crystal Structure of Hiv-1 K103N, Y181C Mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl) Ethoxy)Phenoxy)-7-Fluoro-2-Naphthonitrile (JLJ635), A Non-Nucleoside Inhibitor
All present enzymatic activity of Crystal Structure of Hiv-1 K103N, Y181C Mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl) Ethoxy)Phenoxy)-7-Fluoro-2-Naphthonitrile (JLJ635), A Non-Nucleoside Inhibitor:
2.7.7.49;
2.7.7.49;
Protein crystallography data
The structure of Crystal Structure of Hiv-1 K103N, Y181C Mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl) Ethoxy)Phenoxy)-7-Fluoro-2-Naphthonitrile (JLJ635), A Non-Nucleoside Inhibitor, PDB code: 7so6
was solved by
N.Bertoletti,
K.M.Frey,
K.S.Anderson,
J.A.Cisneros Trigo,
W.L.Jorgensen,
A.H.Chan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 48.26 / 2.79 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 161.74, 74.17, 108.6, 90, 99.37, 90 |
| R / Rfree (%) | 23.9 / 27.5 |
Other elements in 7so6:
The structure of Crystal Structure of Hiv-1 K103N, Y181C Mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl) Ethoxy)Phenoxy)-7-Fluoro-2-Naphthonitrile (JLJ635), A Non-Nucleoside Inhibitor also contains other interesting chemical elements:
| Magnesium | (Mg) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Hiv-1 K103N, Y181C Mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl) Ethoxy)Phenoxy)-7-Fluoro-2-Naphthonitrile (JLJ635), A Non-Nucleoside Inhibitor
(pdb code 7so6). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Hiv-1 K103N, Y181C Mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl) Ethoxy)Phenoxy)-7-Fluoro-2-Naphthonitrile (JLJ635), A Non-Nucleoside Inhibitor, PDB code: 7so6:
In total only one binding site of Fluorine was determined in the Crystal Structure of Hiv-1 K103N, Y181C Mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl) Ethoxy)Phenoxy)-7-Fluoro-2-Naphthonitrile (JLJ635), A Non-Nucleoside Inhibitor, PDB code: 7so6:
Fluorine binding site 1 out of 1 in 7so6
Go back to
Fluorine Binding Sites List in 7so6
Fluorine binding site 1 out
of 1 in the Crystal Structure of Hiv-1 K103N, Y181C Mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl) Ethoxy)Phenoxy)-7-Fluoro-2-Naphthonitrile (JLJ635), A Non-Nucleoside 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 Crystal Structure of Hiv-1 K103N, Y181C Mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl) Ethoxy)Phenoxy)-7-Fluoro-2-Naphthonitrile (JLJ635), A Non-Nucleoside Inhibitor within 5.0Å range:
|
Reference:
K.M.Frey,
N.Bertoletti,
A.H.Chan,
J.A.Ippolito,
M.Bollini,
K.A.Spasov,
W.L.Jorgensen,
K.S.Anderson.
Structural Studies and Structure Activity Relationships For Novel Computationally Designed Non-Nucleoside Inhibitors and Their Interactions with Hiv-1 Reverse Transcriptase. Front Mol Biosci V. 9 05187 2022.
ISSN: ESSN 2296-889X
PubMed: 35237658
DOI: 10.3389/FMOLB.2022.805187
Page generated: Fri Aug 2 13:01:34 2024
ISSN: ESSN 2296-889X
PubMed: 35237658
DOI: 10.3389/FMOLB.2022.805187
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