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Nickel in PDB 4rro: 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
Enzymatic activity of 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
All present enzymatic activity of 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors:
3.4.23.46;
3.4.23.46;
Protein crystallography data
The structure of 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors, PDB code: 4rro
was solved by
A.A.Thomas,
K.W.Hunt,
B.Newhouse,
R.J.Watts,
X.Liu,
G.P.A.Vigers,
D.Smith,
S.P.Rhodes,
K.D.Brown,
J.N.Otten,
M.Burkard,
A.A.Cox,
M.K.Geck Do,
D.Dutcher,
S.Rana,
R.K.Delisle,
K.Regal,
A.D.Wright,
R.Groneberg,
J.Liao,
K.Scearce-Levie,
M.Siu,
H.E.Purkey,
J.P.Lyssikatos,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 28.21 / 1.80 |
| Space group | C 2 2 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 75.110, 104.080, 100.700, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 19.5 / 21.3 |
Other elements in 4rro:
The structure of 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors also contains other interesting chemical elements:
| Fluorine | (F) | 1 atom |
Nickel Binding Sites:
The binding sites of Nickel atom in the 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
(pdb code 4rro). This binding sites where shown within
5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors, PDB code: 4rro:
In total only one binding site of Nickel was determined in the 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors, PDB code: 4rro:
Nickel binding site 1 out of 1 in 4rro
Go back to
Nickel Binding Sites List in 4rro
Nickel binding site 1 out
of 1 in the 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Nickel with other atoms in the Ni binding
site number 1 of 8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors within 5.0Å range:
|
Reference:
A.A.Thomas,
K.W.Hunt,
B.Newhouse,
R.J.Watts,
X.Liu,
G.P.Vigers,
D.Smith,
S.P.Rhodes,
K.D.Brown,
J.N.Otten,
M.Burkard,
A.A.Cox,
M.K.Geck Do,
D.Dutcher,
S.Rana,
R.K.Delisle,
K.Regal,
A.D.Wright,
R.Groneberg,
J.Liao,
K.Scearce-Levie,
M.Siu,
H.E.Purkey,
J.P.Lyssikatos.
8-Tetrahydropyran-2-Yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors. J.Med.Chem. 2014.
ISSN: ISSN 0022-2623
PubMed: 25411915
DOI: 10.1021/JM5015132
Page generated: Wed Oct 9 18:42:47 2024
ISSN: ISSN 0022-2623
PubMed: 25411915
DOI: 10.1021/JM5015132
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