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Chlorine in PDB 4lsn: Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 3-(3-Bromo-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ518), A Non-Nucleoside Inhibitor
Enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 3-(3-Bromo-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ518), A Non-Nucleoside Inhibitor
All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 3-(3-Bromo-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ518), A Non-Nucleoside Inhibitor:
2.7.7.49;
2.7.7.49;
Protein crystallography data
The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 3-(3-Bromo-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ518), A Non-Nucleoside Inhibitor, PDB code: 4lsn
was solved by
W.T.Gray,
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) | 36.14 / 3.10 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 222.824, 68.593, 103.542, 90.00, 107.41, 90.00 |
| R / Rfree (%) | 25.3 / 30.1 |
Other elements in 4lsn:
The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 3-(3-Bromo-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ518), A Non-Nucleoside Inhibitor also contains other interesting chemical elements:
| Bromine | (Br) | 1 atom |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 3-(3-Bromo-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ518), A Non-Nucleoside Inhibitor
(pdb code 4lsn). 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 in Complex with (E)- 3-(3-Bromo-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ518), A Non-Nucleoside Inhibitor, PDB code: 4lsn:
In total only one binding site of Chlorine was determined in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 3-(3-Bromo-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ518), A Non-Nucleoside Inhibitor, PDB code: 4lsn:
Chlorine binding site 1 out of 1 in 4lsn
Go back to
Chlorine Binding Sites List in 4lsn
Chlorine binding site 1 out
of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 3-(3-Bromo-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ518), 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 in Complex with (E)- 3-(3-Bromo-5-(4-Chloro-2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)- Yl)Ethoxy)Phenoxy)Phenyl)Acrylonitrile (JLJ518), A Non-Nucleoside Inhibitor within 5.0Å range:
|
Reference:
K.M.Frey,
W.T.Gray,
K.A.Spasov,
M.Bollini,
R.Gallardo-Macias,
W.L.Jorgensen,
K.S.Anderson.
Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting Hiv-1 Reverse Transcriptase. Chem.Biol.Drug Des. V. 83 541 2014.
ISSN: ISSN 1747-0277
PubMed: 24289305
DOI: 10.1111/CBDD.12266
Page generated: Sun Jul 21 19:14:40 2024
ISSN: ISSN 1747-0277
PubMed: 24289305
DOI: 10.1111/CBDD.12266
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