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Fluorine in PDB 4azy: Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10)
Enzymatic activity of Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10)
All present enzymatic activity of Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10):
3.4.23.46;
3.4.23.46;
Protein crystallography data
The structure of Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10), PDB code: 4azy
was solved by
B.M.Swahn,
K.Kolmodin,
S.Karlstrom,
S.Von Berg,
P.Soderman,
J.Holenz,
S.Berg,
J.Lindstrom,
M.Sundstrom,
D.Turek,
J.Kihlstrom,
C.Slivo,
L.Andersson,
D.Pyring,
L.Ohberg,
A.Kers,
K.Bogar,
M.Bergh,
L.L.Olsson,
J.Janson,
S.Eketjall,
B.Georgievska,
F.Jeppsson,
J.Falting,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 35.87 / 1.79 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 47.540, 76.390, 104.340, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 17.6 / 21.1 |
Other elements in 4azy:
The structure of Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10) also contains other interesting chemical elements:
| Sodium | (Na) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10)
(pdb code 4azy). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10), PDB code: 4azy:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;
In total 5 binding sites of Fluorine where determined in the Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10), PDB code: 4azy:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;
Fluorine binding site 1 out of 5 in 4azy
Go back to
Fluorine Binding Sites List in 4azy
Fluorine binding site 1 out
of 5 in the Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10) within 5.0Å range:
|
Fluorine binding site 2 out of 5 in 4azy
Go back to
Fluorine Binding Sites List in 4azy
Fluorine binding site 2 out
of 5 in the Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10) within 5.0Å range:
|
Fluorine binding site 3 out of 5 in 4azy
Go back to
Fluorine Binding Sites List in 4azy
Fluorine binding site 3 out
of 5 in the Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10) within 5.0Å range:
|
Fluorine binding site 4 out of 5 in 4azy
Go back to
Fluorine Binding Sites List in 4azy
Fluorine binding site 4 out
of 5 in the Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10) within 5.0Å range:
|
Fluorine binding site 5 out of 5 in 4azy
Go back to
Fluorine Binding Sites List in 4azy
Fluorine binding site 5 out
of 5 in the Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Design and Synthesis of BACE1 Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides (Compound 10) within 5.0Å range:
|
Reference:
B.M.Swahn,
K.Kolmodin,
S.Karlstrom,
S.Von Berg,
P.Soderman,
J.Holenz,
S.Berg,
J.Lindstrom,
M.Sundstrom,
D.Turek,
J.Kihlstrom,
C.Slivo,
L.Andersson,
D.Pyring,
D.Rotticci,
L.Ohberg,
A.Kers,
K.Bogar,
F.Von Kieseritzky,
M.Bergh,
L.L.Olsson,
J.Janson,
S.Eketjall,
B.Georgievska,
F.Jeppsson,
J.Falting.
Design and Synthesis of Beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1) Inhibitors with in Vivo Brain Reduction of Beta-Amyloid Peptides. J. Med. Chem. V. 55 9346 2012.
ISSN: ISSN 1520-4804
PubMed: 22924815
DOI: 10.1021/JM3009025
Page generated: Thu Aug 1 00:04:44 2024
ISSN: ISSN 1520-4804
PubMed: 22924815
DOI: 10.1021/JM3009025
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