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Bromine 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:
| Chlorine | (Cl) | 1 atom |
Bromine Binding Sites:
The binding sites of Bromine 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 Bromine atom.
In total only one binding site of Bromine 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 Bromine 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:
Bromine binding site 1 out of 1 in 4lsn
Go back to
Bromine Binding Sites List in 4lsn
Bromine 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 Bromine with other atoms in the Br 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: Wed Jul 10 22:00:39 2024
ISSN: ISSN 1747-0277
PubMed: 24289305
DOI: 10.1111/CBDD.12266
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