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Chlorine in PDB 6jsz: BACE2 Xaperone Complex with N-{3-[(5R)-3-Amino-5-Methyl-9,9-Dioxo-2, 9LAMBDA6-Dithia-4-Azaspiro[5.5]Undec-3-En-5-Yl]-4-Fluorophenyl}-5- (Fluoromethoxy)Pyrazine-2-CarboxamideEnzymatic activity of BACE2 Xaperone Complex with N-{3-[(5R)-3-Amino-5-Methyl-9,9-Dioxo-2, 9LAMBDA6-Dithia-4-Azaspiro[5.5]Undec-3-En-5-Yl]-4-Fluorophenyl}-5- (Fluoromethoxy)Pyrazine-2-Carboxamide
All present enzymatic activity of BACE2 Xaperone Complex with N-{3-[(5R)-3-Amino-5-Methyl-9,9-Dioxo-2, 9LAMBDA6-Dithia-4-Azaspiro[5.5]Undec-3-En-5-Yl]-4-Fluorophenyl}-5- (Fluoromethoxy)Pyrazine-2-Carboxamide:
3.4.23.45; Protein crystallography data
The structure of BACE2 Xaperone Complex with N-{3-[(5R)-3-Amino-5-Methyl-9,9-Dioxo-2, 9LAMBDA6-Dithia-4-Azaspiro[5.5]Undec-3-En-5-Yl]-4-Fluorophenyl}-5- (Fluoromethoxy)Pyrazine-2-Carboxamide, PDB code: 6jsz
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 6jsz:
The structure of BACE2 Xaperone Complex with N-{3-[(5R)-3-Amino-5-Methyl-9,9-Dioxo-2, 9LAMBDA6-Dithia-4-Azaspiro[5.5]Undec-3-En-5-Yl]-4-Fluorophenyl}-5- (Fluoromethoxy)Pyrazine-2-Carboxamide also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the BACE2 Xaperone Complex with N-{3-[(5R)-3-Amino-5-Methyl-9,9-Dioxo-2, 9LAMBDA6-Dithia-4-Azaspiro[5.5]Undec-3-En-5-Yl]-4-Fluorophenyl}-5- (Fluoromethoxy)Pyrazine-2-Carboxamide
(pdb code 6jsz). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the BACE2 Xaperone Complex with N-{3-[(5R)-3-Amino-5-Methyl-9,9-Dioxo-2, 9LAMBDA6-Dithia-4-Azaspiro[5.5]Undec-3-En-5-Yl]-4-Fluorophenyl}-5- (Fluoromethoxy)Pyrazine-2-Carboxamide, PDB code: 6jsz: Chlorine binding site 1 out of 1 in 6jszGo back to Chlorine Binding Sites List in 6jsz
Chlorine binding site 1 out
of 1 in the BACE2 Xaperone Complex with N-{3-[(5R)-3-Amino-5-Methyl-9,9-Dioxo-2, 9LAMBDA6-Dithia-4-Azaspiro[5.5]Undec-3-En-5-Yl]-4-Fluorophenyl}-5- (Fluoromethoxy)Pyrazine-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: Sat Dec 12 13:12:30 2020
ISSN: ISSN 0022-2623 PubMed: 31021626 DOI: 10.1021/ACS.JMEDCHEM.9B00309 |
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