Chlorine in PDB 3jw2: Hiv-1 Protease Mutant G86S with Darunavir

All present enzymatic activity of Hiv-1 Protease Mutant G86S with Darunavir:
3.4.23.16;

The structure of Hiv-1 Protease Mutant G86S with Darunavir, PDB code: 3jw2 was solved by Y.Tie, I.T.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.355, 86.145, 46.369, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 28.2

The structure of Hiv-1 Protease Mutant G86S with Darunavir also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Hiv-1 Protease Mutant G86S with Darunavir (pdb code 3jw2). 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 Mutant G86S with Darunavir, PDB code: 3jw2:

Chlorine binding site 1 out of 1 in the Hiv-1 Protease Mutant G86S with Darunavir


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 Mutant G86S with Darunavir within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:21.4 occ:1.00 NZ B:LYS155 3.0 31.9 0.6 O B:HOH1104 3.1 25.7 1.0 NZ B:LYS155 3.3 23.1 0.4 CD B:LYS155 3.8 27.0 0.4 CB B:PRO144 3.9 17.5 1.0 CH2 B:TRP142 3.9 14.3 1.0 CZ3 B:TRP142 4.0 14.5 1.0 CE B:LYS155 4.1 27.2 0.4 CE B:LYS155 4.2 28.2 0.6 CG B:LYS155 4.2 27.7 0.6 O B:HOH1111 4.5 31.4 0.5 CA B:PRO144 4.6 16.1 1.0 CD B:LYS155 4.8 29.9 0.6 O B:HOH1054 5.0 54.5 1.0

R.Ishima, Q.Gong, Y.Tie, I.T.Weber, J.M.Louis. Highly Conserved Glycine 86 and Arginine 87 Residues Contribute Differently to the Structure and Activity of the Mature Hiv-1 Protease Proteins V. 78 1015 2009.
ISSN: ISSN 0887-3585
PubMed: 19899162
DOI: 10.1002/PROT.22625