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Atomistry » Fluorine » PDB 2vh0-2wbk » 2vj7 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 2vh0-2wbk » 2vj7 » |
Fluorine in PDB 2vj7: Human Bace-1 in Complex with 3-(Ethylamino)-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-5- (2-Oxo-1-Pyrrolidinyl)BenzamideEnzymatic activity of Human Bace-1 in Complex with 3-(Ethylamino)-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-5- (2-Oxo-1-Pyrrolidinyl)Benzamide
All present enzymatic activity of Human Bace-1 in Complex with 3-(Ethylamino)-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-5- (2-Oxo-1-Pyrrolidinyl)Benzamide:
3.4.23.46; Protein crystallography data
The structure of Human Bace-1 in Complex with 3-(Ethylamino)-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-5- (2-Oxo-1-Pyrrolidinyl)Benzamide, PDB code: 2vj7
was solved by
B.Clarke,
E.Demont,
C.Dingwall,
R.Dunsdon,
A.Faller,
J.Hawkins,
I.Hussain,
D.Macpherson,
G.Maile,
R.Matico,
P.Milner,
J.Mosley,
A.Naylor,
A.O'brien,
S.Redshaw,
D.Riddell,
P.Rowland,
V.Soleil,
K.Smith,
S.Stanway,
G.Stemp,
S.Sweitzer,
P.Theobald,
D.Vesey,
D.S.Walter,
J.Ward,
G.Wayne,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Human Bace-1 in Complex with 3-(Ethylamino)-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-5- (2-Oxo-1-Pyrrolidinyl)Benzamide
(pdb code 2vj7). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Human Bace-1 in Complex with 3-(Ethylamino)-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-5- (2-Oxo-1-Pyrrolidinyl)Benzamide, PDB code: 2vj7: Jump to Fluorine binding site number: 1; 2; 3; Fluorine binding site 1 out of 3 in 2vj7Go back to![]() ![]()
Fluorine binding site 1 out
of 3 in the Human Bace-1 in Complex with 3-(Ethylamino)-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-5- (2-Oxo-1-Pyrrolidinyl)Benzamide
![]() Mono view ![]() Stereo pair view
Fluorine binding site 2 out of 3 in 2vj7Go back to![]() ![]()
Fluorine binding site 2 out
of 3 in the Human Bace-1 in Complex with 3-(Ethylamino)-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-5- (2-Oxo-1-Pyrrolidinyl)Benzamide
![]() Mono view ![]() Stereo pair view
Fluorine binding site 3 out of 3 in 2vj7Go back to![]() ![]()
Fluorine binding site 3 out
of 3 in the Human Bace-1 in Complex with 3-(Ethylamino)-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-5- (2-Oxo-1-Pyrrolidinyl)Benzamide
![]() Mono view ![]() Stereo pair view
Reference:
B.Clarke,
E.Demont,
C.Dingwall,
R.Dunsdon,
A.Faller,
J.Hawkins,
I.Hussain,
D.Macpherson,
G.Maile,
R.Matico,
P.Milner,
J.Mosley,
A.Naylor,
A.O'brien,
S.Redshaw,
D.Riddell,
P.Rowland,
V.Soleil,
K.Smith,
S.Stanway,
G.Stemp,
S.Sweitzer,
P.Theobald,
D.Vesey,
D.S.Walter,
J.Ward,
G.Wayne.
Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character. Bioorg.Med.Chem.Lett. V. 18 1017 2008.
Page generated: Wed Jul 31 16:16:16 2024
ISSN: ISSN 0960-894X PubMed: 18166458 DOI: 10.1016/J.BMCL.2007.12.019 |
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