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Atomistry » Fluorine » PDB 4iju-4j0t » 4j0p » |
Fluorine in PDB 4j0p: Crystal Structure of Bace-1 in Complex with 5-Cyano-Pyridine-2- Carboxylic Acid [3-((S)-2-Amino-4-Methyl-5,6-Dihydro-4H-[1,3]Oxazin- 4-Yl)-4-Fluoro-Phenyl]-AmideEnzymatic activity of Crystal Structure of Bace-1 in Complex with 5-Cyano-Pyridine-2- Carboxylic Acid [3-((S)-2-Amino-4-Methyl-5,6-Dihydro-4H-[1,3]Oxazin- 4-Yl)-4-Fluoro-Phenyl]-Amide
All present enzymatic activity of Crystal Structure of Bace-1 in Complex with 5-Cyano-Pyridine-2- Carboxylic Acid [3-((S)-2-Amino-4-Methyl-5,6-Dihydro-4H-[1,3]Oxazin- 4-Yl)-4-Fluoro-Phenyl]-Amide:
3.4.23.46; Protein crystallography data
The structure of Crystal Structure of Bace-1 in Complex with 5-Cyano-Pyridine-2- Carboxylic Acid [3-((S)-2-Amino-4-Methyl-5,6-Dihydro-4H-[1,3]Oxazin- 4-Yl)-4-Fluoro-Phenyl]-Amide, PDB code: 4j0p
was solved by
A.Kuglstatter,
M.Stihle,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 4j0p:
The structure of Crystal Structure of Bace-1 in Complex with 5-Cyano-Pyridine-2- Carboxylic Acid [3-((S)-2-Amino-4-Methyl-5,6-Dihydro-4H-[1,3]Oxazin- 4-Yl)-4-Fluoro-Phenyl]-Amide 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 5-Cyano-Pyridine-2- Carboxylic Acid [3-((S)-2-Amino-4-Methyl-5,6-Dihydro-4H-[1,3]Oxazin- 4-Yl)-4-Fluoro-Phenyl]-Amide
(pdb code 4j0p). 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 Bace-1 in Complex with 5-Cyano-Pyridine-2- Carboxylic Acid [3-((S)-2-Amino-4-Methyl-5,6-Dihydro-4H-[1,3]Oxazin- 4-Yl)-4-Fluoro-Phenyl]-Amide, PDB code: 4j0p: Fluorine binding site 1 out of 1 in 4j0pGo back to Fluorine Binding Sites List in 4j0p
Fluorine binding site 1 out
of 1 in the Crystal Structure of Bace-1 in Complex with 5-Cyano-Pyridine-2- Carboxylic Acid [3-((S)-2-Amino-4-Methyl-5,6-Dihydro-4H-[1,3]Oxazin- 4-Yl)-4-Fluoro-Phenyl]-Amide
Mono view Stereo pair view
Reference:
H.Hilpert,
W.Guba,
T.J.Woltering,
W.Wostl,
E.Pinard,
H.Mauser,
A.V.Mayweg,
M.Rogers-Evans,
R.Humm,
D.Krummenacher,
T.Muser,
C.Schnider,
H.Jacobsen,
L.Ozmen,
A.Bergadano,
D.W.Banner,
R.Hochstrasser,
A.Kuglstatter,
P.David-Pierson,
H.Fischer,
A.Polara,
R.Narquizian.
Beta-Secretase (BACE1) Inhibitors with High in Vivo Efficacy Suitable For Clinical Evaluation in Alzheimer'S Disease. J.Med.Chem. V. 56 3980 2013.
Page generated: Sun Dec 13 12:05:00 2020
ISSN: ISSN 0022-2623 PubMed: 23590342 DOI: 10.1021/JM400225M |
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