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Atomistry » Fluorine » PDB 5esf-5fct » 5f01 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 5esf-5fct » 5f01 » |
Fluorine in PDB 5f01: Crystal Structure of Bace-1 in Complex with (1SR,2SR)-2-((R)-2-Amino- 5,5-Difluoro-4-Methyl-5,6-Dihydro-4H-1,3-Oxazin-4-Yl)-N-(3- Chloroquinolin-8-Yl)CyclopropanecarboxamideEnzymatic activity of Crystal Structure of Bace-1 in Complex with (1SR,2SR)-2-((R)-2-Amino- 5,5-Difluoro-4-Methyl-5,6-Dihydro-4H-1,3-Oxazin-4-Yl)-N-(3- Chloroquinolin-8-Yl)Cyclopropanecarboxamide
All present enzymatic activity of Crystal Structure of Bace-1 in Complex with (1SR,2SR)-2-((R)-2-Amino- 5,5-Difluoro-4-Methyl-5,6-Dihydro-4H-1,3-Oxazin-4-Yl)-N-(3- Chloroquinolin-8-Yl)Cyclopropanecarboxamide:
3.4.23.46; Protein crystallography data
The structure of Crystal Structure of Bace-1 in Complex with (1SR,2SR)-2-((R)-2-Amino- 5,5-Difluoro-4-Methyl-5,6-Dihydro-4H-1,3-Oxazin-4-Yl)-N-(3- Chloroquinolin-8-Yl)Cyclopropanecarboxamide, PDB code: 5f01
was solved by
D.Banner,
J.Benz,
M.Stihle,
A.Kuglstatter,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 5f01:
The structure of Crystal Structure of Bace-1 in Complex with (1SR,2SR)-2-((R)-2-Amino- 5,5-Difluoro-4-Methyl-5,6-Dihydro-4H-1,3-Oxazin-4-Yl)-N-(3- Chloroquinolin-8-Yl)Cyclopropanecarboxamide also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Bace-1 in Complex with (1SR,2SR)-2-((R)-2-Amino- 5,5-Difluoro-4-Methyl-5,6-Dihydro-4H-1,3-Oxazin-4-Yl)-N-(3- Chloroquinolin-8-Yl)Cyclopropanecarboxamide
(pdb code 5f01). 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 Bace-1 in Complex with (1SR,2SR)-2-((R)-2-Amino- 5,5-Difluoro-4-Methyl-5,6-Dihydro-4H-1,3-Oxazin-4-Yl)-N-(3- Chloroquinolin-8-Yl)Cyclopropanecarboxamide, PDB code: 5f01: Jump to Fluorine binding site number: 1; 2; Fluorine binding site 1 out of 2 in 5f01Go back to Fluorine Binding Sites List in 5f01
Fluorine binding site 1 out
of 2 in the Crystal Structure of Bace-1 in Complex with (1SR,2SR)-2-((R)-2-Amino- 5,5-Difluoro-4-Methyl-5,6-Dihydro-4H-1,3-Oxazin-4-Yl)-N-(3- Chloroquinolin-8-Yl)Cyclopropanecarboxamide
Mono view Stereo pair view
Fluorine binding site 2 out of 2 in 5f01Go back to Fluorine Binding Sites List in 5f01
Fluorine binding site 2 out
of 2 in the Crystal Structure of Bace-1 in Complex with (1SR,2SR)-2-((R)-2-Amino- 5,5-Difluoro-4-Methyl-5,6-Dihydro-4H-1,3-Oxazin-4-Yl)-N-(3- Chloroquinolin-8-Yl)Cyclopropanecarboxamide
Mono view Stereo pair view
Reference:
B.Kuhn,
W.Guba,
J.Hert,
D.Banner,
C.Bissantz,
S.Ceccarelli,
W.Haap,
M.Korner,
A.Kuglstatter,
C.Lerner,
P.Mattei,
W.Neidhart,
E.Pinard,
M.G.Rudolph,
T.Schulz-Gasch,
T.Woltering,
M.Stahl.
A Real-World Perspective on Molecular Design. J.Med.Chem. V. 59 4087 2016.
Page generated: Thu Aug 1 09:17:09 2024
ISSN: ISSN 0022-2623 PubMed: 26878596 DOI: 10.1021/ACS.JMEDCHEM.5B01875 |
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