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Atomistry » Arsenic » PDB 7jry-8cff » 7wce | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Arsenic » PDB 7jry-8cff » 7wce » |
Arsenic in PDB 7wce: Crystal Structure of Hiv-1 Integrase Catalytic Core Domain in Complex with (2S)-2-(Tert-Butoxy)-2-(10-Fluoro-2-(2-Hydroxy-4-Methylphenyl)- 1,4-Dimethyl-5-(Methylsulfonyl)-5,6-Dihydrophenanthridin-3-Yl)Acetic AcidEnzymatic activity of Crystal Structure of Hiv-1 Integrase Catalytic Core Domain in Complex with (2S)-2-(Tert-Butoxy)-2-(10-Fluoro-2-(2-Hydroxy-4-Methylphenyl)- 1,4-Dimethyl-5-(Methylsulfonyl)-5,6-Dihydrophenanthridin-3-Yl)Acetic Acid
All present enzymatic activity of Crystal Structure of Hiv-1 Integrase Catalytic Core Domain in Complex with (2S)-2-(Tert-Butoxy)-2-(10-Fluoro-2-(2-Hydroxy-4-Methylphenyl)- 1,4-Dimethyl-5-(Methylsulfonyl)-5,6-Dihydrophenanthridin-3-Yl)Acetic Acid:
2.7.7.49; 2.7.7.7; 3.1.13.2; 3.1.26.13; 3.4.23.16; Protein crystallography data
The structure of Crystal Structure of Hiv-1 Integrase Catalytic Core Domain in Complex with (2S)-2-(Tert-Butoxy)-2-(10-Fluoro-2-(2-Hydroxy-4-Methylphenyl)- 1,4-Dimethyl-5-(Methylsulfonyl)-5,6-Dihydrophenanthridin-3-Yl)Acetic Acid, PDB code: 7wce
was solved by
Y.Taoda,
Y.Sekiguchi,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 7wce:
The structure of Crystal Structure of Hiv-1 Integrase Catalytic Core Domain in Complex with (2S)-2-(Tert-Butoxy)-2-(10-Fluoro-2-(2-Hydroxy-4-Methylphenyl)- 1,4-Dimethyl-5-(Methylsulfonyl)-5,6-Dihydrophenanthridin-3-Yl)Acetic Acid also contains other interesting chemical elements:
Arsenic Binding Sites:
The binding sites of Arsenic atom in the Crystal Structure of Hiv-1 Integrase Catalytic Core Domain in Complex with (2S)-2-(Tert-Butoxy)-2-(10-Fluoro-2-(2-Hydroxy-4-Methylphenyl)- 1,4-Dimethyl-5-(Methylsulfonyl)-5,6-Dihydrophenanthridin-3-Yl)Acetic Acid
(pdb code 7wce). This binding sites where shown within
5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Crystal Structure of Hiv-1 Integrase Catalytic Core Domain in Complex with (2S)-2-(Tert-Butoxy)-2-(10-Fluoro-2-(2-Hydroxy-4-Methylphenyl)- 1,4-Dimethyl-5-(Methylsulfonyl)-5,6-Dihydrophenanthridin-3-Yl)Acetic Acid, PDB code: 7wce: Jump to Arsenic binding site number: 1; 2; Arsenic binding site 1 out of 2 in 7wceGo back to Arsenic Binding Sites List in 7wce
Arsenic binding site 1 out
of 2 in the Crystal Structure of Hiv-1 Integrase Catalytic Core Domain in Complex with (2S)-2-(Tert-Butoxy)-2-(10-Fluoro-2-(2-Hydroxy-4-Methylphenyl)- 1,4-Dimethyl-5-(Methylsulfonyl)-5,6-Dihydrophenanthridin-3-Yl)Acetic Acid
Mono view Stereo pair view
Arsenic binding site 2 out of 2 in 7wceGo back to Arsenic Binding Sites List in 7wce
Arsenic binding site 2 out
of 2 in the Crystal Structure of Hiv-1 Integrase Catalytic Core Domain in Complex with (2S)-2-(Tert-Butoxy)-2-(10-Fluoro-2-(2-Hydroxy-4-Methylphenyl)- 1,4-Dimethyl-5-(Methylsulfonyl)-5,6-Dihydrophenanthridin-3-Yl)Acetic Acid
Mono view Stereo pair view
Reference:
Y.Taoda,
T.Akiyama,
K.Tomita,
M.Fujiwara-Kitamura,
Y.Tamura,
T.Kawasuji,
E.Matsuoka,
E.Akihisa,
T.Seki,
T.Yoshinaga.
Discovery of Tricyclic Hiv-1 Integrase-Ledgf/P75 Allosteric Inhibitors By Intramolecular Direct Arylation Reaction. Bioorg.Med.Chem.Lett. V. 64 28664 2022.
Page generated: Wed Jul 10 13:52:23 2024
ISSN: ESSN 1464-3405 PubMed: 35272008 DOI: 10.1016/J.BMCL.2022.128664 |
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