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Fluorine in PDB 7kre: Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 4- ((6-Cyanonaphthalen-1-Yl)Oxy)-3-(2-(2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Ethoxy)Phenyl Sulfurofluoridate (JLJ704)Enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 4- ((6-Cyanonaphthalen-1-Yl)Oxy)-3-(2-(2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Ethoxy)Phenyl Sulfurofluoridate (JLJ704)
All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 4- ((6-Cyanonaphthalen-1-Yl)Oxy)-3-(2-(2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Ethoxy)Phenyl Sulfurofluoridate (JLJ704):
2.7.7.49; 2.7.7.7; 3.1.26.13; Protein crystallography data
The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 4- ((6-Cyanonaphthalen-1-Yl)Oxy)-3-(2-(2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Ethoxy)Phenyl Sulfurofluoridate (JLJ704), PDB code: 7kre
was solved by
N.Bertoletti,
J.A.Ippolito,
W.L.Jorgensen,
K.S.Anderson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 4- ((6-Cyanonaphthalen-1-Yl)Oxy)-3-(2-(2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Ethoxy)Phenyl Sulfurofluoridate (JLJ704)
(pdb code 7kre). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 4- ((6-Cyanonaphthalen-1-Yl)Oxy)-3-(2-(2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Ethoxy)Phenyl Sulfurofluoridate (JLJ704), PDB code: 7kre: Fluorine binding site 1 out of 1 in 7kreGo back to Fluorine Binding Sites List in 7kre
Fluorine binding site 1 out
of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 4- ((6-Cyanonaphthalen-1-Yl)Oxy)-3-(2-(2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Ethoxy)Phenyl Sulfurofluoridate (JLJ704)
Mono view Stereo pair view
Reference:
J.A.Ippolito,
H.Niu,
B.Bertoletti,
Z.J.Carter,
S.Jin,
K.A.Spasov,
J.A.Cisneros,
M.Valhondo,
K.J.Cutrona,
K.S.Anderson,
W.L.Jorgensen.
Covalent Inhibition of Wild-Type Hiv-1 Reverse Transcriptase Using A Fluorosulfate Warhead Acs Med.Chem.Lett. 2020.
Page generated: Sun Jan 24 16:01:05 2021
ISSN: ISSN 1948-5875 DOI: 10.1021/ACSMEDCHEMLETT.0C00612 |
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