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Atomistry » Bromine » PDB 4mye-4p5b » 4oc6 » |
Bromine in PDB 4oc6: Structure of Cathepsin D with Inhibitor 2-Bromo-N-[(2S,3S)-4-{[2-(2,4- Dichlorophenyl)Ethyl][3-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl) Propanoyl]Amino}-3-Hydroxy-1-(3-Phenoxyphenyl)Butan-2-Yl]-4,5- DimethoxybenzamideEnzymatic activity of Structure of Cathepsin D with Inhibitor 2-Bromo-N-[(2S,3S)-4-{[2-(2,4- Dichlorophenyl)Ethyl][3-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl) Propanoyl]Amino}-3-Hydroxy-1-(3-Phenoxyphenyl)Butan-2-Yl]-4,5- Dimethoxybenzamide
All present enzymatic activity of Structure of Cathepsin D with Inhibitor 2-Bromo-N-[(2S,3S)-4-{[2-(2,4- Dichlorophenyl)Ethyl][3-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl) Propanoyl]Amino}-3-Hydroxy-1-(3-Phenoxyphenyl)Butan-2-Yl]-4,5- Dimethoxybenzamide:
3.4.23.5; Protein crystallography data
The structure of Structure of Cathepsin D with Inhibitor 2-Bromo-N-[(2S,3S)-4-{[2-(2,4- Dichlorophenyl)Ethyl][3-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl) Propanoyl]Amino}-3-Hydroxy-1-(3-Phenoxyphenyl)Butan-2-Yl]-4,5- Dimethoxybenzamide, PDB code: 4oc6
was solved by
U.Graedler,
P.Czodrowski,
C.Tsaklakidis,
M.Klein,
K.Maskos,
B.Leuthner,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 4oc6:
The structure of Structure of Cathepsin D with Inhibitor 2-Bromo-N-[(2S,3S)-4-{[2-(2,4- Dichlorophenyl)Ethyl][3-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl) Propanoyl]Amino}-3-Hydroxy-1-(3-Phenoxyphenyl)Butan-2-Yl]-4,5- Dimethoxybenzamide also contains other interesting chemical elements:
Bromine Binding Sites:
The binding sites of Bromine atom in the Structure of Cathepsin D with Inhibitor 2-Bromo-N-[(2S,3S)-4-{[2-(2,4- Dichlorophenyl)Ethyl][3-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl) Propanoyl]Amino}-3-Hydroxy-1-(3-Phenoxyphenyl)Butan-2-Yl]-4,5- Dimethoxybenzamide
(pdb code 4oc6). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Structure of Cathepsin D with Inhibitor 2-Bromo-N-[(2S,3S)-4-{[2-(2,4- Dichlorophenyl)Ethyl][3-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl) Propanoyl]Amino}-3-Hydroxy-1-(3-Phenoxyphenyl)Butan-2-Yl]-4,5- Dimethoxybenzamide, PDB code: 4oc6: Bromine binding site 1 out of 1 in 4oc6Go back to![]() ![]()
Bromine binding site 1 out
of 1 in the Structure of Cathepsin D with Inhibitor 2-Bromo-N-[(2S,3S)-4-{[2-(2,4- Dichlorophenyl)Ethyl][3-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl) Propanoyl]Amino}-3-Hydroxy-1-(3-Phenoxyphenyl)Butan-2-Yl]-4,5- Dimethoxybenzamide
![]() Mono view ![]() Stereo pair view
Reference:
U.Gradler,
P.Czodrowski,
C.Tsaklakidis,
M.Klein,
D.Werkmann,
S.Lindemann,
K.Maskos,
B.Leuthner.
Structure-Based Optimization of Non-Peptidic Cathepsin D Inhibitors. Bioorg.Med.Chem.Lett. V. 24 4141 2014.
Page generated: Wed Jul 10 22:10:48 2024
ISSN: ISSN 0960-894X PubMed: 25086681 DOI: 10.1016/J.BMCL.2014.07.054 |
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