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Fluorine in PDB 6jsg: Crystal Structure of BACE1 in Complex with N-{3-[(4S)-2-Amino-4- Methyl-5,6-Dihydro-4H-1,3-Thiazin-4-Yl]-4-Fluorophenyl}-5- Chloropyridine-2-CarboxamideEnzymatic activity of Crystal Structure of BACE1 in Complex with N-{3-[(4S)-2-Amino-4- Methyl-5,6-Dihydro-4H-1,3-Thiazin-4-Yl]-4-Fluorophenyl}-5- Chloropyridine-2-Carboxamide
All present enzymatic activity of Crystal Structure of BACE1 in Complex with N-{3-[(4S)-2-Amino-4- Methyl-5,6-Dihydro-4H-1,3-Thiazin-4-Yl]-4-Fluorophenyl}-5- Chloropyridine-2-Carboxamide:
3.4.23.46; Protein crystallography data
The structure of Crystal Structure of BACE1 in Complex with N-{3-[(4S)-2-Amino-4- Methyl-5,6-Dihydro-4H-1,3-Thiazin-4-Yl]-4-Fluorophenyl}-5- Chloropyridine-2-Carboxamide, PDB code: 6jsg
was solved by
K.Fujimoto,
E.Matsuoka,
N.Asada,
G.Tadano,
T.Yamamoto,
K.Nakahara,
K.Fuchino,
H.Ito,
N.Kanegawa,
D.Moechars,
H.J.M.Gijsen,
K.I.Kusakabe,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 6jsg:
The structure of Crystal Structure of BACE1 in Complex with N-{3-[(4S)-2-Amino-4- Methyl-5,6-Dihydro-4H-1,3-Thiazin-4-Yl]-4-Fluorophenyl}-5- Chloropyridine-2-Carboxamide also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of BACE1 in Complex with N-{3-[(4S)-2-Amino-4- Methyl-5,6-Dihydro-4H-1,3-Thiazin-4-Yl]-4-Fluorophenyl}-5- Chloropyridine-2-Carboxamide
(pdb code 6jsg). 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 N-{3-[(4S)-2-Amino-4- Methyl-5,6-Dihydro-4H-1,3-Thiazin-4-Yl]-4-Fluorophenyl}-5- Chloropyridine-2-Carboxamide, PDB code: 6jsg: Fluorine binding site 1 out of 1 in 6jsgGo back to Fluorine Binding Sites List in 6jsg
Fluorine binding site 1 out
of 1 in the Crystal Structure of BACE1 in Complex with N-{3-[(4S)-2-Amino-4- Methyl-5,6-Dihydro-4H-1,3-Thiazin-4-Yl]-4-Fluorophenyl}-5- Chloropyridine-2-Carboxamide
Mono view Stereo pair view
Reference:
K.Fujimoto,
E.Matsuoka,
N.Asada,
G.Tadano,
T.Yamamoto,
K.Nakahara,
K.Fuchino,
H.Ito,
N.Kanegawa,
D.Moechars,
H.J.M.Gijsen,
K.I.Kusakabe.
Structure-Based Design of Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity Over BACE2. J.Med.Chem. V. 62 5080 2019.
Page generated: Sun Dec 13 12:54:40 2020
ISSN: ISSN 0022-2623 PubMed: 31021626 DOI: 10.1021/ACS.JMEDCHEM.9B00309 |
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