Chlorine in PDB 3ndx: Hiv-1 Protease Saquinavir:Ritonavir 1:50 Complex Structure

All present enzymatic activity of Hiv-1 Protease Saquinavir:Ritonavir 1:50 Complex Structure:
3.4.23.16;

The structure of Hiv-1 Protease Saquinavir:Ritonavir 1:50 Complex Structure, PDB code: 3ndx 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 / 1.03
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.160, 58.567, 61.143, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the Hiv-1 Protease Saquinavir:Ritonavir 1:50 Complex Structure (pdb code 3ndx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Hiv-1 Protease Saquinavir:Ritonavir 1:50 Complex Structure, PDB code: 3ndx:

Chlorine binding site 1 out of 1 in the Hiv-1 Protease Saquinavir:Ritonavir 1:50 Complex Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hiv-1 Protease Saquinavir:Ritonavir 1:50 Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:37.4 occ:1.00 O A:HOH305 2.5 37.5 1.0 O B:HOH307 2.7 52.7 1.0 N A:ARG8 2.9 9.2 1.0 CB A:LYS7 3.2 14.6 0.5 CG A:ARG8 3.4 9.1 1.0 CA A:LYS7 3.5 10.3 0.5 CA A:LYS7 3.5 12.3 0.5 C A:LYS7 3.7 9.1 1.0 CB A:LYS7 3.7 15.1 0.5 CB A:ARG8 3.7 8.6 1.0 CA A:ARG8 3.9 7.9 1.0 CD A:ARG8 4.0 12.8 1.0 O A:HOH151 4.0 21.8 1.0 NH2 B:ARG87 4.2 9.5 1.0 NE A:ARG8 4.2 11.8 1.0 CG A:LYS7 4.2 16.6 0.5 CD A:LYS7 4.2 25.8 0.5 CG A:LYS7 4.3 17.5 0.5 CD A:LYS7 4.7 16.4 0.5 CZ A:ARG8 4.7 16.8 1.0 CZ B:ARG87 4.7 8.4 1.0 O A:HOH193 4.8 30.3 1.0 O A:LYS7 4.9 8.4 1.0 N A:LYS7 4.9 9.6 1.0 O A:ARG8 4.9 8.8 1.0 NH1 B:ARG87 4.9 8.6 1.0 C A:ARG8 4.9 7.9 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