Chlorine in PDB 7myy: Crystal Structure of Hiv-1 PRS17 with Grl-142

The structure of Crystal Structure of Hiv-1 PRS17 with Grl-142, PDB code: 7myy was solved by J.Agniswamy, I.T.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.43 / 1.50
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	62.893, 62.893, 83.114, 90, 90, 120
R / Rfree (%)	20.2 / 24.8

The structure of Crystal Structure of Hiv-1 PRS17 with Grl-142 also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 PRS17 with Grl-142 (pdb code 7myy). 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 Crystal Structure of Hiv-1 PRS17 with Grl-142, PDB code: 7myy:

Chlorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 PRS17 with Grl-142


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Hiv-1 PRS17 with Grl-142 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl103 b:48.1 occ:1.00 OG1 A:THR4 3.0 25.3 1.0 NZ A:LYS7 3.1 50.1 1.0 N A:LYS7 3.2 21.1 1.0 O A:THR4 3.3 22.1 1.0 N A:TRP6 3.4 18.8 1.0 O A:HOH211 3.4 25.1 1.0 C A:THR4 3.5 20.7 1.0 CB A:LYS7 3.8 27.7 1.0 O A:HOH248 3.8 29.1 1.0 N A:LEU5 3.9 18.7 1.0 CE A:LYS7 3.9 47.5 1.0 CG A:LYS7 3.9 35.2 1.0 CA A:LYS7 4.0 21.0 1.0 CA A:TRP6 4.0 20.3 1.0 CB A:TRP6 4.0 21.8 1.0 C A:TRP6 4.1 19.4 1.0 C A:LEU5 4.1 17.6 1.0 O A:LYS7 4.1 18.6 1.0 CB A:THR4 4.1 25.7 1.0 CA A:THR4 4.2 23.1 1.0 CA A:LEU5 4.2 18.0 1.0 O A:HOH257 4.2 35.2 1.0 O A:HOH207 4.3 25.6 1.0 O A:HOH256 4.3 33.3 1.0 N A:THR4 4.4 22.7 1.0 CD A:LYS7 4.5 41.4 1.0 C A:LYS7 4.5 18.2 1.0 CD1 A:TRP6 4.8 18.9 1.0 CG A:TRP6 4.9 18.6 1.0

J.Agniswamy, D.W.Kneller, A.K.Ghosh, I.T.Weber. Novel Hiv Pr Inhibitors with C4-Substituted Bis-Thf and Bis-Fluoro-Benzyl Target the Two Active Site Mutations of Highly Drug Resistant Mutant Pr S17 . Biochem.Biophys.Res.Commun. V. 566 30 2021.
ISSN: ESSN 1090-2104
PubMed: 34111669
DOI: 10.1016/J.BBRC.2021.05.094