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Fluorine in PDB 4frj: Crystal Structure of BACE1 in Complex with Aminooxazoline Xanthene 9L
Enzymatic activity of Crystal Structure of BACE1 in Complex with Aminooxazoline Xanthene 9L
All present enzymatic activity of Crystal Structure of BACE1 in Complex with Aminooxazoline Xanthene 9L:
3.4.23.46;
3.4.23.46;
Protein crystallography data
The structure of Crystal Structure of BACE1 in Complex with Aminooxazoline Xanthene 9L, PDB code: 4frj
was solved by
D.A.Whittington,
A.M.Long,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 30.00 / 1.95 |
| Space group | P 61 2 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 101.544, 101.544, 168.457, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 18.6 / 21.9 |
Other elements in 4frj:
The structure of Crystal Structure of BACE1 in Complex with Aminooxazoline Xanthene 9L also contains other interesting chemical elements:
| Iodine | (I) | 2 atoms |
| Chlorine | (Cl) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of BACE1 in Complex with Aminooxazoline Xanthene 9L
(pdb code 4frj). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of BACE1 in Complex with Aminooxazoline Xanthene 9L, PDB code: 4frj:
In total only one binding site of Fluorine was determined in the Crystal Structure of BACE1 in Complex with Aminooxazoline Xanthene 9L, PDB code: 4frj:
Fluorine binding site 1 out of 1 in 4frj
Go back to
Fluorine Binding Sites List in 4frj
Fluorine binding site 1 out
of 1 in the Crystal Structure of BACE1 in Complex with Aminooxazoline Xanthene 9L
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 Crystal Structure of BACE1 in Complex with Aminooxazoline Xanthene 9L within 5.0Å range:
|
Reference:
H.Huang,
D.S.La,
A.C.Cheng,
D.A.Whittington,
V.F.Patel,
K.Chen,
T.A.Dineen,
O.Epstein,
R.Graceffa,
D.Hickman,
Y.H.Kiang,
S.Louie,
Y.Luo,
R.C.Wahl,
P.H.Wen,
S.Wood,
R.T.Fremeau.
Structure- and Property-Based Design of Aminooxazoline Xanthenes As Selective, Orally Efficacious, and Cns Penetrable Bace Inhibitors For the Treatment of Alzheimer'S Disease. J.Med.Chem. V. 55 9156 2012.
ISSN: ISSN 0022-2623
PubMed: 22928914
DOI: 10.1021/JM300598E
Page generated: Sun Dec 13 12:02:47 2020
ISSN: ISSN 0022-2623
PubMed: 22928914
DOI: 10.1021/JM300598E
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