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Atomistry » Fluorine » PDB 8pgx-8q0v » 8q0v | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 8pgx-8q0v » 8q0v » |
Fluorine in PDB 8q0v: Endothiapepsin in Complex with Ligand (3R,5R)-3-(2-((Methyl(Prop-2-Yn- 1-Yl)Amino)Methyl)Thiazol-4-Yl)-5-(3-(4-(Trifluoromethyl)Phenyl)-1,2, 4-Oxadiazol-5-Yl)Pyrrolidin-3-Ol (Cbws-Se-073)Enzymatic activity of Endothiapepsin in Complex with Ligand (3R,5R)-3-(2-((Methyl(Prop-2-Yn- 1-Yl)Amino)Methyl)Thiazol-4-Yl)-5-(3-(4-(Trifluoromethyl)Phenyl)-1,2, 4-Oxadiazol-5-Yl)Pyrrolidin-3-Ol (Cbws-Se-073)
All present enzymatic activity of Endothiapepsin in Complex with Ligand (3R,5R)-3-(2-((Methyl(Prop-2-Yn- 1-Yl)Amino)Methyl)Thiazol-4-Yl)-5-(3-(4-(Trifluoromethyl)Phenyl)-1,2, 4-Oxadiazol-5-Yl)Pyrrolidin-3-Ol (Cbws-Se-073):
3.4.23.22; Protein crystallography data
The structure of Endothiapepsin in Complex with Ligand (3R,5R)-3-(2-((Methyl(Prop-2-Yn- 1-Yl)Amino)Methyl)Thiazol-4-Yl)-5-(3-(4-(Trifluoromethyl)Phenyl)-1,2, 4-Oxadiazol-5-Yl)Pyrrolidin-3-Ol (Cbws-Se-073), PDB code: 8q0v
was solved by
J.M.Mueller,
S.Eckelt,
G.Klebe,
S.Glinca,
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 Endothiapepsin in Complex with Ligand (3R,5R)-3-(2-((Methyl(Prop-2-Yn- 1-Yl)Amino)Methyl)Thiazol-4-Yl)-5-(3-(4-(Trifluoromethyl)Phenyl)-1,2, 4-Oxadiazol-5-Yl)Pyrrolidin-3-Ol (Cbws-Se-073)
(pdb code 8q0v). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Endothiapepsin in Complex with Ligand (3R,5R)-3-(2-((Methyl(Prop-2-Yn- 1-Yl)Amino)Methyl)Thiazol-4-Yl)-5-(3-(4-(Trifluoromethyl)Phenyl)-1,2, 4-Oxadiazol-5-Yl)Pyrrolidin-3-Ol (Cbws-Se-073), PDB code: 8q0v: Jump to Fluorine binding site number: 1; 2; 3; Fluorine binding site 1 out of 3 in 8q0vGo back to![]() ![]()
Fluorine binding site 1 out
of 3 in the Endothiapepsin in Complex with Ligand (3R,5R)-3-(2-((Methyl(Prop-2-Yn- 1-Yl)Amino)Methyl)Thiazol-4-Yl)-5-(3-(4-(Trifluoromethyl)Phenyl)-1,2, 4-Oxadiazol-5-Yl)Pyrrolidin-3-Ol (Cbws-Se-073)
![]() Mono view ![]() Stereo pair view
Fluorine binding site 2 out of 3 in 8q0vGo back to![]() ![]()
Fluorine binding site 2 out
of 3 in the Endothiapepsin in Complex with Ligand (3R,5R)-3-(2-((Methyl(Prop-2-Yn- 1-Yl)Amino)Methyl)Thiazol-4-Yl)-5-(3-(4-(Trifluoromethyl)Phenyl)-1,2, 4-Oxadiazol-5-Yl)Pyrrolidin-3-Ol (Cbws-Se-073)
![]() Mono view ![]() Stereo pair view
Fluorine binding site 3 out of 3 in 8q0vGo back to![]() ![]()
Fluorine binding site 3 out
of 3 in the Endothiapepsin in Complex with Ligand (3R,5R)-3-(2-((Methyl(Prop-2-Yn- 1-Yl)Amino)Methyl)Thiazol-4-Yl)-5-(3-(4-(Trifluoromethyl)Phenyl)-1,2, 4-Oxadiazol-5-Yl)Pyrrolidin-3-Ol (Cbws-Se-073)
![]() Mono view ![]() Stereo pair view
Reference:
J.M.Mueller,
J.M.Mueller,
S.Eckelt,
G.Klebe,
S.Glinca.
N/A N/A.
Page generated: Wed Jul 16 06:47:16 2025
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