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Fluorine in PDB 6oe3: Crystal Structure of Hiv-1 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 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 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; 2.7.7.7; 3.1.26.13;
2.7.7.49; 2.7.7.7; 3.1.26.13;
Protein crystallography data
The structure of Crystal Structure of Hiv-1 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: 6oe3
was solved by
N.Bertoletti,
S.N.Kudalkar,
K.S.Anderson,
J.A.Cisneros Trigo,
W.L.Jorgensen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 43.17 / 2.90 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 224.311, 69.572, 104.830, 90.00, 105.79, 90.00 |
| R / Rfree (%) | 22.8 / 27.3 |
Other elements in 6oe3:
The structure of Crystal Structure of Hiv-1 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 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 6oe3). 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 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: 6oe3:
In total only one binding site of Fluorine was determined in the Crystal Structure of Hiv-1 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: 6oe3:
Fluorine binding site 1 out of 1 in 6oe3
Go back to
Fluorine Binding Sites List in 6oe3
Fluorine binding site 1 out
of 1 in the Crystal Structure of Hiv-1 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 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:
S.N.Kudalkar,
I.Ullah,
N.Bertoletti,
H.K.Mandl,
J.A.Cisneros,
J.Beloor,
A.H.Chan,
E.Quijano,
W.M.Saltzman,
W.L.Jorgensen,
P.Kumar,
K.S.Anderson.
Structural and Pharmacological Evaluation of A Novel Non-Nucleoside Reverse Transcriptase Inhibitor As A Promising Long Acting Nanoformulation For Treating Hiv. Antiviral Res. V. 167 110 2019.
ISSN: ISSN 0166-3542
PubMed: 31034849
DOI: 10.1016/J.ANTIVIRAL.2019.04.010
Page generated: Thu Aug 1 23:35:04 2024
ISSN: ISSN 0166-3542
PubMed: 31034849
DOI: 10.1016/J.ANTIVIRAL.2019.04.010
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