Magnesium in PDB 5ter: Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 5- Chloro-7-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)Ethoxy) Phenoxy)-8-Methyl-2-Naphthonitrile (JLJ651), A Non-Nucleoside Inhibitor
Enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 5- Chloro-7-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)Ethoxy) Phenoxy)-8-Methyl-2-Naphthonitrile (JLJ651), A Non-Nucleoside Inhibitor
All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 5- Chloro-7-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)Ethoxy) Phenoxy)-8-Methyl-2-Naphthonitrile (JLJ651), A Non-Nucleoside Inhibitor:
2.7.7.49; 2.7.7.7; 3.1.13.2; 3.1.26.13; 3.4.23.16;
2.7.7.49; 2.7.7.7; 3.1.13.2; 3.1.26.13; 3.4.23.16;
Protein crystallography data
The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 5- Chloro-7-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)Ethoxy) Phenoxy)-8-Methyl-2-Naphthonitrile (JLJ651), A Non-Nucleoside Inhibitor, PDB code: 5ter
was solved by
A.H.Chan,
K.S.Anderson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 41.29 / 2.70 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 162.620, 74.200, 108.600, 90.00, 99.98, 90.00 |
| R / Rfree (%) | 23 / 26.7 |
Other elements in 5ter:
The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 5- Chloro-7-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)Ethoxy) Phenoxy)-8-Methyl-2-Naphthonitrile (JLJ651), A Non-Nucleoside Inhibitor also contains other interesting chemical elements:
| Chlorine | (Cl) | 1 atom |
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 5- Chloro-7-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)Ethoxy) Phenoxy)-8-Methyl-2-Naphthonitrile (JLJ651), A Non-Nucleoside Inhibitor
(pdb code 5ter). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 5- Chloro-7-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)Ethoxy) Phenoxy)-8-Methyl-2-Naphthonitrile (JLJ651), A Non-Nucleoside Inhibitor, PDB code: 5ter:
In total only one binding site of Magnesium was determined in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 5- Chloro-7-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)Ethoxy) Phenoxy)-8-Methyl-2-Naphthonitrile (JLJ651), A Non-Nucleoside Inhibitor, PDB code: 5ter:
Magnesium binding site 1 out of 1 in 5ter
Go back to
Magnesium Binding Sites List in 5ter
Magnesium binding site 1 out
of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 5- Chloro-7-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)Ethoxy) Phenoxy)-8-Methyl-2-Naphthonitrile (JLJ651), A Non-Nucleoside Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 5- Chloro-7-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)Ethoxy) Phenoxy)-8-Methyl-2-Naphthonitrile (JLJ651), A Non-Nucleoside Inhibitor within 5.0Å range:
|
Reference:
W.G.Lee,
A.H.Chan,
K.A.Spasov,
K.S.Anderson,
W.L.Jorgensen.
Design, Conformation, and Crystallography of 2-Naphthyl Phenyl Ethers As Potent Anti-Hiv Agents. Acs Med Chem Lett V. 7 1156 2016.
ISSN: ISSN 1948-5875
PubMed: 27994756
DOI: 10.1021/ACSMEDCHEMLETT.6B00390
Page generated: Mon Dec 14 21:11:48 2020
ISSN: ISSN 1948-5875
PubMed: 27994756
DOI: 10.1021/ACSMEDCHEMLETT.6B00390
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