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Chlorine in PDB 4rw7: Crystal Structure of Hiv-1 Reverse Transcriptase (K103N, Y181C) Variant in Complex with (E)-3-(3-Chloro-5-(2-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)-Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ532), A Non-Nucleoside Inhibitor
Enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase (K103N, Y181C) Variant in Complex with (E)-3-(3-Chloro-5-(2-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)-Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ532), A Non-Nucleoside Inhibitor
All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase (K103N, Y181C) Variant in Complex with (E)-3-(3-Chloro-5-(2-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)-Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ532), A Non-Nucleoside Inhibitor:
2.7.7.49; 2.7.7.7; 3.1.13.2; 3.1.26.13;
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 (K103N, Y181C) Variant in Complex with (E)-3-(3-Chloro-5-(2-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)-Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ532), A Non-Nucleoside Inhibitor, PDB code: 4rw7
was solved by
K.M.Frey,
K.S.Anderson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 34.97 / 3.01 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 161.953, 73.874, 108.457, 90.00, 99.87, 90.00 |
| R / Rfree (%) | 22.9 / 26.6 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Reverse Transcriptase (K103N, Y181C) Variant in Complex with (E)-3-(3-Chloro-5-(2-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)-Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ532), A Non-Nucleoside Inhibitor
(pdb code 4rw7). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Hiv-1 Reverse Transcriptase (K103N, Y181C) Variant in Complex with (E)-3-(3-Chloro-5-(2-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)-Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ532), A Non-Nucleoside Inhibitor, PDB code: 4rw7:
In total only one binding site of Chlorine was determined in the Crystal Structure of Hiv-1 Reverse Transcriptase (K103N, Y181C) Variant in Complex with (E)-3-(3-Chloro-5-(2-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)-Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ532), A Non-Nucleoside Inhibitor, PDB code: 4rw7:
Chlorine binding site 1 out of 1 in 4rw7
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Chlorine Binding Sites List in 4rw7
Chlorine binding site 1 out
of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase (K103N, Y181C) Variant in Complex with (E)-3-(3-Chloro-5-(2-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)-Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ532), A Non-Nucleoside Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Hiv-1 Reverse Transcriptase (K103N, Y181C) Variant in Complex with (E)-3-(3-Chloro-5-(2-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)-Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ532), A Non-Nucleoside Inhibitor within 5.0Å range:
|
Reference:
K.M.Frey,
D.E.Puleo,
K.A.Spasov,
M.Bollini,
W.L.Jorgensen,
K.S.Anderson.
Structure-Based Evaluation of Non-Nucleoside Inhibitors with Improved Potency and Solubility That Target Hiv Reverse Transcriptase Variants. J.Med.Chem. V. 58 2737 2015.
ISSN: ISSN 0022-2623
PubMed: 25700160
DOI: 10.1021/JM501908A
Page generated: Fri Jul 11 21:36:50 2025
ISSN: ISSN 0022-2623
PubMed: 25700160
DOI: 10.1021/JM501908A
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