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Fluorine in PDB 4xxs: Crystal Structure of BACE1 with A Pyrazole-Substituted Tetrahydropyran ThioamidineEnzymatic activity of Crystal Structure of BACE1 with A Pyrazole-Substituted Tetrahydropyran Thioamidine
All present enzymatic activity of Crystal Structure of BACE1 with A Pyrazole-Substituted Tetrahydropyran Thioamidine:
3.4.23.46; Protein crystallography data
The structure of Crystal Structure of BACE1 with A Pyrazole-Substituted Tetrahydropyran Thioamidine, PDB code: 4xxs
was solved by
K.D.Parris,
J.Pandit,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 4xxs:
The structure of Crystal Structure of BACE1 with A Pyrazole-Substituted Tetrahydropyran Thioamidine also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of BACE1 with A Pyrazole-Substituted Tetrahydropyran Thioamidine
(pdb code 4xxs). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of BACE1 with A Pyrazole-Substituted Tetrahydropyran Thioamidine, PDB code: 4xxs: Jump to Fluorine binding site number: 1; 2; Fluorine binding site 1 out of 2 in 4xxsGo back to Fluorine Binding Sites List in 4xxs
Fluorine binding site 1 out
of 2 in the Crystal Structure of BACE1 with A Pyrazole-Substituted Tetrahydropyran Thioamidine
Mono view Stereo pair view
Fluorine binding site 2 out of 2 in 4xxsGo back to Fluorine Binding Sites List in 4xxs
Fluorine binding site 2 out
of 2 in the Crystal Structure of BACE1 with A Pyrazole-Substituted Tetrahydropyran Thioamidine
Mono view Stereo pair view
Reference:
M.A.Brodney,
E.M.Beck,
C.R.Butler,
G.Barreiro,
E.F.Johnson,
D.Riddell,
K.Parris,
C.E.Nolan,
Y.Fan,
K.Atchison,
C.Gonzales,
A.Robshaw,
S.D.Doran,
M.W.Bundesmann,
L.M.Buzon,
J.K.Dutra,
K.E.Henegar,
E.A.Lachapelle,
X.Hou,
B.N.Rogers,
J.Pandit,
R.Lira,
L.A.Martinez-Alsina,
P.Mikochik,
J.C.Murray,
K.Ogilvie,
L.Price,
S.Sakya,
A.Yu,
Y.Zhang,
B.T.O'neill.
Utilizing CYP2D6 and BACE1 Structure Complexes to Reduce Risk of Drug-Drug Interactions with A Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem. 2015.
Page generated: Sun Dec 13 12:15:32 2020
ISSN: ISSN 0022-2623 PubMed: 25781223 DOI: 10.1021/ACS.JMEDCHEM.5B00191 |
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