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Magnesium in PDB 6ul5: Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with 4-[(4-{4-[(E)-2-Cyanoethenyl]-2,6-Dimethylphenoxy}Thieno[3,2- D]Pyrimidin-2-Yl)Amino]-2-Fluorobenzonitrile (24B), A Non-Nucleoside Rt Inhibitor
Enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with 4-[(4-{4-[(E)-2-Cyanoethenyl]-2,6-Dimethylphenoxy}Thieno[3,2- D]Pyrimidin-2-Yl)Amino]-2-Fluorobenzonitrile (24B), A Non-Nucleoside Rt Inhibitor
All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with 4-[(4-{4-[(E)-2-Cyanoethenyl]-2,6-Dimethylphenoxy}Thieno[3,2- D]Pyrimidin-2-Yl)Amino]-2-Fluorobenzonitrile (24B), A Non-Nucleoside Rt Inhibitor:
2.7.7.49;
2.7.7.49;
Protein crystallography data
The structure of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with 4-[(4-{4-[(E)-2-Cyanoethenyl]-2,6-Dimethylphenoxy}Thieno[3,2- D]Pyrimidin-2-Yl)Amino]-2-Fluorobenzonitrile (24B), A Non-Nucleoside Rt Inhibitor, PDB code: 6ul5
was solved by
F.X.Ruiz,
A.Pilch,
E.Arnold,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 41.27 / 2.23 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 162.488, 73.068, 109.085, 90.00, 100.29, 90.00 |
| R / Rfree (%) | 21.1 / 24.5 |
Other elements in 6ul5:
The structure of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with 4-[(4-{4-[(E)-2-Cyanoethenyl]-2,6-Dimethylphenoxy}Thieno[3,2- D]Pyrimidin-2-Yl)Amino]-2-Fluorobenzonitrile (24B), A Non-Nucleoside Rt Inhibitor also contains other interesting chemical elements:
| Fluorine | (F) | 1 atom |
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with 4-[(4-{4-[(E)-2-Cyanoethenyl]-2,6-Dimethylphenoxy}Thieno[3,2- D]Pyrimidin-2-Yl)Amino]-2-Fluorobenzonitrile (24B), A Non-Nucleoside Rt Inhibitor
(pdb code 6ul5). 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 (Rt) in Complex with 4-[(4-{4-[(E)-2-Cyanoethenyl]-2,6-Dimethylphenoxy}Thieno[3,2- D]Pyrimidin-2-Yl)Amino]-2-Fluorobenzonitrile (24B), A Non-Nucleoside Rt Inhibitor, PDB code: 6ul5:
In total only one binding site of Magnesium was determined in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with 4-[(4-{4-[(E)-2-Cyanoethenyl]-2,6-Dimethylphenoxy}Thieno[3,2- D]Pyrimidin-2-Yl)Amino]-2-Fluorobenzonitrile (24B), A Non-Nucleoside Rt Inhibitor, PDB code: 6ul5:
Magnesium binding site 1 out of 1 in 6ul5
Go back to
Magnesium Binding Sites List in 6ul5
Magnesium binding site 1 out
of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with 4-[(4-{4-[(E)-2-Cyanoethenyl]-2,6-Dimethylphenoxy}Thieno[3,2- D]Pyrimidin-2-Yl)Amino]-2-Fluorobenzonitrile (24B), A Non-Nucleoside Rt 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 (Rt) in Complex with 4-[(4-{4-[(E)-2-Cyanoethenyl]-2,6-Dimethylphenoxy}Thieno[3,2- D]Pyrimidin-2-Yl)Amino]-2-Fluorobenzonitrile (24B), A Non-Nucleoside Rt Inhibitor within 5.0Å range:
|
Reference:
D.Kang,
F.X.Ruiz,
D.Feng,
A.Pilch,
T.Zhao,
F.Wei,
Z.Wang,
Y.Sun,
Z.Fang,
E.De Clercq,
C.Pannecouque,
E.Arnold,
X.Liu,
P.Zhan.
Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives As Novel Hiv-1 Nnrtis with Highly Improved Resistance Profiles and Low Activity For the Herg Ion Channel J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 31935327
DOI: 10.1021/ACS.JMEDCHEM.9B01769
Page generated: Tue Oct 1 21:06:46 2024
ISSN: ISSN 0022-2623
PubMed: 31935327
DOI: 10.1021/ACS.JMEDCHEM.9B01769
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