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Atomistry » Chlorine » PDB 4h1t-4h8i » 4h4m | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Chlorine » PDB 4h1t-4h8i » 4h4m » |
Chlorine in PDB 4h4m: Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 3-(3-Chloro-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ494), A Non-Nucleoside InhibitorEnzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 3-(3-Chloro-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ494), A Non-Nucleoside Inhibitor
All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 3-(3-Chloro-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ494), A Non-Nucleoside Inhibitor:
2.7.7.49; 2.7.7.7; 3.1.13.2; 3.1.26.13; Protein crystallography data
The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 3-(3-Chloro-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ494), A Non-Nucleoside Inhibitor, PDB code: 4h4m
was solved by
K.M.Frey,
K.S.Anderson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 3-(3-Chloro-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ494), A Non-Nucleoside Inhibitor
(pdb code 4h4m). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 3-(3-Chloro-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ494), A Non-Nucleoside Inhibitor, PDB code: 4h4m: Jump to Chlorine binding site number: 1; 2; Chlorine binding site 1 out of 2 in 4h4mGo back to Chlorine Binding Sites List in 4h4m
Chlorine binding site 1 out
of 2 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 3-(3-Chloro-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ494), A Non-Nucleoside Inhibitor
Mono view Stereo pair view
Chlorine binding site 2 out of 2 in 4h4mGo back to Chlorine Binding Sites List in 4h4m
Chlorine binding site 2 out
of 2 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 3-(3-Chloro-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ494), A Non-Nucleoside Inhibitor
Mono view Stereo pair view
Reference:
K.M.Frey,
M.Bollini,
A.C.Mislak,
J.A.Cisneros,
R.Gallardo-Macias,
W.L.Jorgensen,
K.S.Anderson.
Crystal Structures of Hiv-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions For Drug Design. J.Am.Chem.Soc. V. 134 19501 2012.
Page generated: Sat Dec 12 10:41:40 2020
ISSN: ISSN 0002-7863 PubMed: 23163887 DOI: 10.1021/JA3092642 |
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