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Zinc in PDB 4i11: Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates.
Enzymatic activity of Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates.
All present enzymatic activity of Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates.:
3.4.23.46;
3.4.23.46;
Protein crystallography data
The structure of Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates., PDB code: 4i11
was solved by
B.Bowers,
Y.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.R.Artis,
D.Tam,
M.Bova,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 50.34 / 1.89 |
| Space group | C 2 2 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 75.055, 104.383, 100.680, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 21.5 / 27.8 |
Zinc Binding Sites:
The binding sites of Zinc atom in the Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates.
(pdb code 4i11). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates., PDB code: 4i11:
Jump to Zinc binding site number: 1; 2; 3;
In total 3 binding sites of Zinc where determined in the Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates., PDB code: 4i11:
Jump to Zinc binding site number: 1; 2; 3;
Zinc binding site 1 out of 3 in 4i11
Go back to
Zinc Binding Sites List in 4i11
Zinc binding site 1 out
of 3 in the Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates.
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates. within 5.0Å range:
|
Zinc binding site 2 out of 3 in 4i11
Go back to
Zinc Binding Sites List in 4i11
Zinc binding site 2 out
of 3 in the Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates.
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates. within 5.0Å range:
|
Zinc binding site 3 out of 3 in 4i11
Go back to
Zinc Binding Sites List in 4i11
Zinc binding site 3 out
of 3 in the Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates.
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates. 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: Sun Oct 27 00:25:08 2024
ISSN: ISSN 0960-894X
PubMed: 23465612
DOI: 10.1016/J.BMCL.2013.01.103
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