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Atomistry » Fluorine » PDB 5qc0-5qor » 5qj3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 5qc0-5qor » 5qj3 » |
Fluorine in PDB 5qj3: Crystal Structure of Myeloperoxidase Subform C (Mpo) Complex with Compound-24 Aka 7-({4-Chloro-3'-Fluoro-[1,1'- Biphenyl]-3- Yl}Methoxy)-3H-[1,2,3]Triazolo[4,5-B]Pyridin- 5-AmineEnzymatic activity of Crystal Structure of Myeloperoxidase Subform C (Mpo) Complex with Compound-24 Aka 7-({4-Chloro-3'-Fluoro-[1,1'- Biphenyl]-3- Yl}Methoxy)-3H-[1,2,3]Triazolo[4,5-B]Pyridin- 5-Amine
All present enzymatic activity of Crystal Structure of Myeloperoxidase Subform C (Mpo) Complex with Compound-24 Aka 7-({4-Chloro-3'-Fluoro-[1,1'- Biphenyl]-3- Yl}Methoxy)-3H-[1,2,3]Triazolo[4,5-B]Pyridin- 5-Amine:
1.11.2.2; Protein crystallography data
The structure of Crystal Structure of Myeloperoxidase Subform C (Mpo) Complex with Compound-24 Aka 7-({4-Chloro-3'-Fluoro-[1,1'- Biphenyl]-3- Yl}Methoxy)-3H-[1,2,3]Triazolo[4,5-B]Pyridin- 5-Amine, PDB code: 5qj3
was solved by
J.A.Khan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 5qj3:
The structure of Crystal Structure of Myeloperoxidase Subform C (Mpo) Complex with Compound-24 Aka 7-({4-Chloro-3'-Fluoro-[1,1'- Biphenyl]-3- Yl}Methoxy)-3H-[1,2,3]Triazolo[4,5-B]Pyridin- 5-Amine also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Myeloperoxidase Subform C (Mpo) Complex with Compound-24 Aka 7-({4-Chloro-3'-Fluoro-[1,1'- Biphenyl]-3- Yl}Methoxy)-3H-[1,2,3]Triazolo[4,5-B]Pyridin- 5-Amine
(pdb code 5qj3). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Myeloperoxidase Subform C (Mpo) Complex with Compound-24 Aka 7-({4-Chloro-3'-Fluoro-[1,1'- Biphenyl]-3- Yl}Methoxy)-3H-[1,2,3]Triazolo[4,5-B]Pyridin- 5-Amine, PDB code: 5qj3: Jump to Fluorine binding site number: 1; 2; Fluorine binding site 1 out of 2 in 5qj3Go back to![]() ![]()
Fluorine binding site 1 out
of 2 in the Crystal Structure of Myeloperoxidase Subform C (Mpo) Complex with Compound-24 Aka 7-({4-Chloro-3'-Fluoro-[1,1'- Biphenyl]-3- Yl}Methoxy)-3H-[1,2,3]Triazolo[4,5-B]Pyridin- 5-Amine
![]() Mono view ![]() Stereo pair view
Fluorine binding site 2 out of 2 in 5qj3Go back to![]() ![]()
Fluorine binding site 2 out
of 2 in the Crystal Structure of Myeloperoxidase Subform C (Mpo) Complex with Compound-24 Aka 7-({4-Chloro-3'-Fluoro-[1,1'- Biphenyl]-3- Yl}Methoxy)-3H-[1,2,3]Triazolo[4,5-B]Pyridin- 5-Amine
![]() Mono view ![]() Stereo pair view
Reference:
N.R.Wurtz,
A.Viet,
S.A.Shaw,
A.Dilger,
M.N.Valente,
J.A.Khan,
S.Jusuf,
R.Narayanan,
G.Fernando,
F.Lo,
X.Liu,
G.A.Locke,
L.Kopcho,
L.M.Abell,
P.Sleph,
M.Basso,
L.Zhao,
R.R.Wexler,
F.Duclos,
E.K.Kick.
Potent Triazolopyridine Myeloperoxidase Inhibitors. Acs Med Chem Lett V. 9 1175 2018.
Page generated: Thu Aug 1 13:16:15 2024
ISSN: ISSN 1948-5875 PubMed: 30613322 DOI: 10.1021/ACSMEDCHEMLETT.8B00308 |
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