Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-5,8-dimethyl-2-naphthonitrile (JLJ658), a Non-nucleoside Inhibitor

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Meghan McCarthy

Created on Wed, 2020-07-22 09:19, last updated on Wed, 2020-07-22 09:19

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General Information

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

Model ID 

3DPX-014693

Category 

Proteins, Macromolecules and Viruses

Keyword(s) 

polymerase, Reverse Transcriptase, NON-NUCLEOSIDE INHIBITOR, TRANSFERASE, HYDROLASE-INHIBITOR complex, HYDROLASE-NHIBITOR complex

Protein Data Bank ID 

6X4C

Experimental Method 

X-RAY DIFFRACTION

Resolution 

2.850

Model Details

Associated Species 

Escherichia coli BL21(DE3)

Oligomeric Details 

dimeric

R-Factor 

0.2220

Scattering Type 

x-ray

Attribution

PubMed ID 

32 643 196

Digital Object Identifier (DOI) 

10.1002/pro.3910

Citation Title 

Structural Investigation of 2-Naphthyl Phenyl Ether Inhibitors Bound to WT and Y181C Reverse Transcriptase Highlights Key Features of the NNRTI Binding Site.

Citation Year 

2020

STL/VRML Files

 

PDB-6X4C-ribbon-secondary.wrl

PDB-6X4C-ribbon-rainbow.wrl

PDB-6X4C-ribbon-bychain.wrl

PDB-6X4C-ribbon.stl

PDB-6X4C-surf-bychain.wrl

PDB-6X4C-surf-hydropathy.wrl

PDB-6X4C-surf-coulombic.wrl

PDB-6X4C-surf.stl

PDB-6X4C.zip

X3D Files

 

PDB-6X4C-ribbon-secondary.x3d

PDB-6X4C-ribbon-rainbow.x3d

PDB-6X4C-ribbon-bychain.x3d

PDB-6X4C-ribbon.x3d

PDB-6X4C-surf-bychain.x3d

PDB-6X4C-surf-hydropathy.x3d

PDB-6X4C-surf-coulombic.x3d

PDB-6X4C-surf.x3d

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