Sodium in PDB 9g34: The Hiv Protease Inhibitor Darunavir Binding to the Active Site of Cryphonectria Parasitica Endothiapepsin

All present enzymatic activity of The Hiv Protease Inhibitor Darunavir Binding to the Active Site of Cryphonectria Parasitica Endothiapepsin:
3.4.23.22;

The structure of The Hiv Protease Inhibitor Darunavir Binding to the Active Site of Cryphonectria Parasitica Endothiapepsin, PDB code: 9g34 was solved by S.Falke, J.M.Senst, S.Guenther, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.41 / 1.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.654, 72.336, 101.942, 90, 95.87, 90
R / Rfree (%)	15.8 / 17.2

The binding sites of Sodium atom in the The Hiv Protease Inhibitor Darunavir Binding to the Active Site of Cryphonectria Parasitica Endothiapepsin (pdb code 9g34). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the The Hiv Protease Inhibitor Darunavir Binding to the Active Site of Cryphonectria Parasitica Endothiapepsin, PDB code: 9g34:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the The Hiv Protease Inhibitor Darunavir Binding to the Active Site of Cryphonectria Parasitica Endothiapepsin


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of The Hiv Protease Inhibitor Darunavir Binding to the Active Site of Cryphonectria Parasitica Endothiapepsin within 5.0Å range: probe atom residue distance (Å) B Occ A:Na403 b:15.5 occ:0.63 O A:HOH922 2.1 24.9 1.0 O A:HOH550 2.1 14.0 1.0 O A:HOH809 2.2 25.8 1.0 O A:HOH968 2.2 29.8 1.0 O A:HOH673 2.2 26.6 1.0 O A:HOH917 2.2 26.5 1.0 O A:ALA178 3.9 13.8 1.0 O A:HOH668 4.0 23.4 1.0 O A:HOH636 4.4 17.1 1.0 C A:ALA178 4.4 12.5 1.0 CA A:ALA178 4.5 13.3 1.0 O A:HOH858 4.5 27.2 1.0 OXT A:LYS330 4.6 15.9 1.0 OD1 A:ASP160 4.6 12.6 1.0 O A:THR177 4.8 16.9 1.0 CB A:LYS330 5.0 10.8 1.0

Sodium binding site 2 out of 2 in the The Hiv Protease Inhibitor Darunavir Binding to the Active Site of Cryphonectria Parasitica Endothiapepsin


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of The Hiv Protease Inhibitor Darunavir Binding to the Active Site of Cryphonectria Parasitica Endothiapepsin within 5.0Å range: probe atom residue distance (Å) B Occ B:Na404 b:17.1 occ:0.63 O B:HOH892 2.1 26.4 1.0 O B:HOH534 2.2 14.5 1.0 O B:HOH770 2.2 26.1 1.0 O B:HOH614 2.2 28.5 1.0 O B:HOH928 2.2 37.4 1.0 O B:HOH875 2.3 27.2 1.0 O B:HOH634 3.8 24.1 1.0 O B:ALA178 3.9 13.5 1.0 O B:HOH843 4.3 33.2 1.0 C B:ALA178 4.4 11.9 1.0 CA B:ALA178 4.5 12.4 1.0 O B:HOH625 4.5 18.6 1.0 OXT B:LYS330 4.6 16.8 1.0 OD2 B:ASP160 4.7 11.7 1.0 O B:THR177 4.8 17.1 1.0

S.Falke, J.M.Senst, S.Guenther, A.Meents. The Hiv Protease Inhibitor Darunavir Binding to the Active Site of Cryphonectria Parasitica Endothiapepsin To Be Published.