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Atomistry » Chlorine » PDB 5jec-5jka » 5jg1 » |
Chlorine in PDB 5jg1: Hiv-1 Wild Type Protease with Grl-031-14A (A Adamantane P1-Ligand with Tetrahydropyrano-Tetrahydrofuran in P2 and Isobutylamine in P1')Protein crystallography data
The structure of Hiv-1 Wild Type Protease with Grl-031-14A (A Adamantane P1-Ligand with Tetrahydropyrano-Tetrahydrofuran in P2 and Isobutylamine in P1'), PDB code: 5jg1
was solved by
Y.-F.Wang,
J.Agniswamy,
I.T.Weber,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 5jg1:
The structure of Hiv-1 Wild Type Protease with Grl-031-14A (A Adamantane P1-Ligand with Tetrahydropyrano-Tetrahydrofuran in P2 and Isobutylamine in P1') also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Hiv-1 Wild Type Protease with Grl-031-14A (A Adamantane P1-Ligand with Tetrahydropyrano-Tetrahydrofuran in P2 and Isobutylamine in P1')
(pdb code 5jg1). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Hiv-1 Wild Type Protease with Grl-031-14A (A Adamantane P1-Ligand with Tetrahydropyrano-Tetrahydrofuran in P2 and Isobutylamine in P1'), PDB code: 5jg1: Jump to Chlorine binding site number: 1; 2; Chlorine binding site 1 out of 2 in 5jg1Go back to Chlorine Binding Sites List in 5jg1
Chlorine binding site 1 out
of 2 in the Hiv-1 Wild Type Protease with Grl-031-14A (A Adamantane P1-Ligand with Tetrahydropyrano-Tetrahydrofuran in P2 and Isobutylamine in P1')
Mono view Stereo pair view
Chlorine binding site 2 out of 2 in 5jg1Go back to Chlorine Binding Sites List in 5jg1
Chlorine binding site 2 out
of 2 in the Hiv-1 Wild Type Protease with Grl-031-14A (A Adamantane P1-Ligand with Tetrahydropyrano-Tetrahydrofuran in P2 and Isobutylamine in P1')
Mono view Stereo pair view
Reference:
A.K.Ghosh,
H.L.Osswald,
K.Glauninger,
J.Agniswamy,
Y.F.Wang,
H.Hayashi,
M.Aoki,
I.T.Weber,
H.Mitsuya.
Probing Lipophilic Adamantyl Group As the P1-Ligand For Hiv-1 Protease Inhibitors: Design, Synthesis, Protein X-Ray Structural Studies, and Biological Evaluation. J.Med.Chem. V. 59 6826 2016.
Page generated: Sat Dec 12 11:53:07 2020
ISSN: ISSN 0022-2623 PubMed: 27389367 DOI: 10.1021/ACS.JMEDCHEM.6B00639 |
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