Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ649), a Non-nucleoside Inhibitor

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Thu, 2017-03-16 20:27

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General Information

This Model was autogenerated from the "Quick Submit" tool.

Model ID 

3DPX-004666

Category 

Proteins, Macromolecules and Viruses

Protein Data Bank ID 

5TEP

Keyword(s) 

polymerase

Reverse Transcriptase

HIV

NON-NUCLEOSIDE INHIBITOR

TRANSFERASE

HYDROLASE-DNA-INHIBITOR complex

HYDROLASE-INHIBITOR complex

Model Color 

Full spectrum color

Monochrome

Model Details

Experimental Method 

X-RAY DIFFRACTION

Associated Species 

Escherichia coli BL21(DE3)

Resolution 

3.0990

Oligomeric Details 

dimeric

R-Factor 

0.2278

Scattering Type 

x-ray

Attribution

PubMed ID 

27 994 756

Digital Object Identifier (DOI) 

10.1021/acsmedchemlett.6b00390

Design, Conformation, and Crystallography of 2-Naphthyl Phenyl Ethers as Potent Anti-HIV Agents.

Citation Year 

2016

STL/VRML Files

 

PDB-5TEP-ribbon-secondary.wrl

PDB-5TEP-ribbon-rainbow.wrl

PDB-5TEP-ribbon-bychain.wrl

PDB-5TEP-ribbon.stl

PDB-5TEP-surf-bychain.wrl

PDB-5TEP-surf-hydropathy.wrl

PDB-5TEP-surf-coulombic.wrl

PDB-5TEP-surf.stl

PDB-5TEP.zip

X3D Files

 

PDB-5TEP-ribbon-secondary.x3d

PDB-5TEP-ribbon-rainbow.x3d

PDB-5TEP-ribbon-bychain.x3d

PDB-5TEP-ribbon.x3d

PDB-5TEP-surf-bychain.x3d

PDB-5TEP-surf-hydropathy.x3d

PDB-5TEP-surf-coulombic.x3d

PDB-5TEP-surf.x3d

Blender Files

 

PDB-5TEP-ribbon-secondary.blend

PDB-5TEP-ribbon-rainbow.blend

PDB-5TEP-ribbon-bychain.blend

PDB-5TEP-ribbon.blend

PDB-5TEP-surf-bychain.blend

PDB-5TEP-surf-hydropathy.blend

PDB-5TEP-surf-coulombic.blend

PDB-5TEP-surf.blend

Rating

Select ratingGive Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ649), a Non-nucleoside Inhibitor 1/5Give Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ649), a Non-nucleoside Inhibitor 2/5Give Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ649), a Non-nucleoside Inhibitor 3/5Give Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ649), a Non-nucleoside Inhibitor 4/5Give Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ649), a Non-nucleoside Inhibitor 5/5Cancel rating

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