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Atomistry » Iodine » PDB 7sia-8a24 » 7snn | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Iodine » PDB 7sia-8a24 » 7snn » |
Iodine in PDB 7snn: Disulfide Stabilized Hiv-1 Ca Hexamer in Complex with Capsid Inhibitor N-(1-(3-(4-Chloro-1-Methyl-3-(Methylsulfonamido)-1H-Indazol-7-Yl)-4- Oxo-3,4-Dihydropyrido[2,3-D]Pyrimidin-2-Yl)-2-(3,5-Difluorophenyl) Ethyl)-2-(3-(Difluoromethyl)-5,6-Dihydrocyclopenta[C]Pyrazol-1(4H)- Yl)AcetamideProtein crystallography data
The structure of Disulfide Stabilized Hiv-1 Ca Hexamer in Complex with Capsid Inhibitor N-(1-(3-(4-Chloro-1-Methyl-3-(Methylsulfonamido)-1H-Indazol-7-Yl)-4- Oxo-3,4-Dihydropyrido[2,3-D]Pyrimidin-2-Yl)-2-(3,5-Difluorophenyl) Ethyl)-2-(3-(Difluoromethyl)-5,6-Dihydrocyclopenta[C]Pyrazol-1(4H)- Yl)Acetamide, PDB code: 7snn
was solved by
S.M.Bester,
M.Kvaratskhelia,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 7snn:
The structure of Disulfide Stabilized Hiv-1 Ca Hexamer in Complex with Capsid Inhibitor N-(1-(3-(4-Chloro-1-Methyl-3-(Methylsulfonamido)-1H-Indazol-7-Yl)-4- Oxo-3,4-Dihydropyrido[2,3-D]Pyrimidin-2-Yl)-2-(3,5-Difluorophenyl) Ethyl)-2-(3-(Difluoromethyl)-5,6-Dihydrocyclopenta[C]Pyrazol-1(4H)- Yl)Acetamide also contains other interesting chemical elements:
Iodine Binding Sites:
The binding sites of Iodine atom in the Disulfide Stabilized Hiv-1 Ca Hexamer in Complex with Capsid Inhibitor N-(1-(3-(4-Chloro-1-Methyl-3-(Methylsulfonamido)-1H-Indazol-7-Yl)-4- Oxo-3,4-Dihydropyrido[2,3-D]Pyrimidin-2-Yl)-2-(3,5-Difluorophenyl) Ethyl)-2-(3-(Difluoromethyl)-5,6-Dihydrocyclopenta[C]Pyrazol-1(4H)- Yl)Acetamide
(pdb code 7snn). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Disulfide Stabilized Hiv-1 Ca Hexamer in Complex with Capsid Inhibitor N-(1-(3-(4-Chloro-1-Methyl-3-(Methylsulfonamido)-1H-Indazol-7-Yl)-4- Oxo-3,4-Dihydropyrido[2,3-D]Pyrimidin-2-Yl)-2-(3,5-Difluorophenyl) Ethyl)-2-(3-(Difluoromethyl)-5,6-Dihydrocyclopenta[C]Pyrazol-1(4H)- Yl)Acetamide, PDB code: 7snn: Jump to Iodine binding site number: 1; 2; 3; Iodine binding site 1 out of 3 in 7snnGo back to![]() ![]()
Iodine binding site 1 out
of 3 in the Disulfide Stabilized Hiv-1 Ca Hexamer in Complex with Capsid Inhibitor N-(1-(3-(4-Chloro-1-Methyl-3-(Methylsulfonamido)-1H-Indazol-7-Yl)-4- Oxo-3,4-Dihydropyrido[2,3-D]Pyrimidin-2-Yl)-2-(3,5-Difluorophenyl) Ethyl)-2-(3-(Difluoromethyl)-5,6-Dihydrocyclopenta[C]Pyrazol-1(4H)- Yl)Acetamide
![]() Mono view ![]() Stereo pair view
Iodine binding site 2 out of 3 in 7snnGo back to![]() ![]()
Iodine binding site 2 out
of 3 in the Disulfide Stabilized Hiv-1 Ca Hexamer in Complex with Capsid Inhibitor N-(1-(3-(4-Chloro-1-Methyl-3-(Methylsulfonamido)-1H-Indazol-7-Yl)-4- Oxo-3,4-Dihydropyrido[2,3-D]Pyrimidin-2-Yl)-2-(3,5-Difluorophenyl) Ethyl)-2-(3-(Difluoromethyl)-5,6-Dihydrocyclopenta[C]Pyrazol-1(4H)- Yl)Acetamide
![]() Mono view ![]() Stereo pair view
Iodine binding site 3 out of 3 in 7snnGo back to![]() ![]()
Iodine binding site 3 out
of 3 in the Disulfide Stabilized Hiv-1 Ca Hexamer in Complex with Capsid Inhibitor N-(1-(3-(4-Chloro-1-Methyl-3-(Methylsulfonamido)-1H-Indazol-7-Yl)-4- Oxo-3,4-Dihydropyrido[2,3-D]Pyrimidin-2-Yl)-2-(3,5-Difluorophenyl) Ethyl)-2-(3-(Difluoromethyl)-5,6-Dihydrocyclopenta[C]Pyrazol-1(4H)- Yl)Acetamide
![]() Mono view ![]() Stereo pair view
Reference:
D.Adu-Ampratwum,
R.Haney,
S.M.Bester,
A.S.Annamalai,
G.Wei,
J.R.Fuchs,
M.Kvaratskhelia.
Disulfide Stabilized Hiv-1 Ca Hexamer in Complex with Capsid Inhibitor N-(1-(3-(4-Chloro-1-Methyl-3-(Methylsulfonamido) -1H-Indazol-7-Yl)-4-Oxo-3,4-Dihydropyrido[2, 3-D]Pyrimidin-2-Yl)-2-(3,5-Difluorophenyl)Ethyl) -2-(3-(Difluoromethyl)-5,6-Dihydrocyclopenta[C]Pyrazol-1(4H) -Yl)Acetamide To Be Published.
Page generated: Fri Aug 8 23:45:05 2025
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