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Chlorine in PDB 4i10: 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: 4i10
was solved by
J.C.Lougheed,
E.Brecht,
N.H.Yao,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 60.86 / 2.07 |
| Space group | C 2 2 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 75.090, 103.900, 99.720, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 16.9 / 22.8 |
Other elements in 4i10:
The structure of Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates also contains other interesting chemical elements:
| Zinc | (Zn) | 3 atoms |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates
(pdb code 4i10). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates, PDB code: 4i10:
In total only one binding site of Chlorine was determined in the Structure-Based Design of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage the Catalytic Aspartates, PDB code: 4i10:
Chlorine binding site 1 out of 1 in 4i10
Go back to
Chlorine Binding Sites List in 4i10
Chlorine binding site 1 out
of 1 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 Chlorine with other atoms in the Cl 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:
|
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: Fri Jul 11 16:38:19 2025
ISSN: ISSN 0960-894X
PubMed: 23465612
DOI: 10.1016/J.BMCL.2013.01.103
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