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Bromine in PDB 4i0g: Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors
Enzymatic activity of Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors
All present enzymatic activity of Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors:
3.4.23.46;
3.4.23.46;
Protein crystallography data
The structure of Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors, PDB code: 4i0g
was solved by
N.Yao,
E.Brecht,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 60.00 / 1.78 |
| Space group | C 2 2 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 74.773, 103.362, 99.243, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 23.2 / 30 |
Other elements in 4i0g:
The structure of Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors also contains other interesting chemical elements:
| Chlorine | (Cl) | 1 atom |
| Zinc | (Zn) | 3 atoms |
Bromine Binding Sites:
The binding sites of Bromine atom in the Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors
(pdb code 4i0g). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors, PDB code: 4i0g:
In total only one binding site of Bromine was determined in the Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors, PDB code: 4i0g:
Bromine binding site 1 out of 1 in 4i0g
Go back to
Bromine Binding Sites List in 4i0g
Bromine binding site 1 out
of 1 in the Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors within 5.0Å range:
|
Reference:
S.Bowers,
Y.Z.Xu,
S.Yuan,
G.D.Probst,
R.K.Hom,
W.Chan,
A.W.Konradi,
H.L.Sham,
Y.L.Zhu,
P.Beroza,
H.Pan,
E.Brecht,
N.Yao,
J.Lougheed,
D.Tam,
Z.Ren,
L.Ruslim,
M.P.Bova,
D.R.Artis.
Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates. Bioorg.Med.Chem.Lett. V. 23 2181 2013.
ISSN: ISSN 0960-894X
PubMed: 23465612
DOI: 10.1016/J.BMCL.2013.01.103
Page generated: Mon Jul 7 06:44:36 2025
ISSN: ISSN 0960-894X
PubMed: 23465612
DOI: 10.1016/J.BMCL.2013.01.103
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