Sodium in PDB 3ndw: Hiv-1 Protease Saquinavir:Ritonavir 1:15 Complex Structure

All present enzymatic activity of Hiv-1 Protease Saquinavir:Ritonavir 1:15 Complex Structure:
3.4.23.16;

The structure of Hiv-1 Protease Saquinavir:Ritonavir 1:15 Complex Structure, PDB code: 3ndw was solved by S.Geremia, F.M.Olajuyigbe, N.Demitri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.14
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.254, 58.793, 61.334, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Sodium atom in the Hiv-1 Protease Saquinavir:Ritonavir 1:15 Complex Structure (pdb code 3ndw). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Hiv-1 Protease Saquinavir:Ritonavir 1:15 Complex Structure, PDB code: 3ndw:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Hiv-1 Protease Saquinavir:Ritonavir 1:15 Complex Structure


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Hiv-1 Protease Saquinavir:Ritonavir 1:15 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Na103 b:74.4 occ:1.00 OE1 A:GLU21 3.1 34.8 1.0 OG1 A:THR12 3.4 14.1 1.0 O A:HOH124 3.5 22.9 1.0 N A:THR12 3.8 9.8 1.0 CA A:VAL11 4.1 9.5 1.0 CD A:GLU21 4.1 34.8 1.0 C A:VAL11 4.1 9.5 1.0 O A:LEU10 4.1 11.5 1.0 OE2 A:GLU21 4.2 26.8 1.0 CB A:THR12 4.5 13.2 1.0 O A:HOH104 4.7 37.0 1.0 CA A:THR12 4.7 10.1 1.0 O A:HOH158 4.7 42.5 1.0 N A:VAL11 4.8 9.6 1.0 C A:LEU10 4.8 9.9 1.0 O A:VAL11 4.9 11.2 1.0

Sodium binding site 2 out of 2 in the Hiv-1 Protease Saquinavir:Ritonavir 1:15 Complex Structure


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Hiv-1 Protease Saquinavir:Ritonavir 1:15 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Na104 b:0.9 occ:1.00 NH1 B:ARG8 3.5 17.1 0.5 NH2 B:ARG8 4.0 15.2 0.5 CZ B:ARG8 4.2 14.5 0.5 O A:HOH213 4.3 42.8 1.0

F.M.Olajuyigbe, N.Demitri, S.Geremia. Investigation of 2-Fold Disorder of Inhibitors and Relative Potency By Crystallizations of Hiv-1 Protease in Ritonavir and Saquinavir Mixtures Cryst.Growth Des. V. 11 4378 2011.
ISSN: ISSN 1528-7483
DOI: 10.1021/CG200514Z