Chlorine in PDB 3dle: Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GF128590.

All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GF128590.:
2.7.7.49; 2.7.7.7; 3.1.26.4;

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GF128590., PDB code: 3dle was solved by J.Ren, P.P.Chamberlain, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.79 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	137.890, 110.250, 72.420, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 29.6

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GF128590. (pdb code 3dle). 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 Reverse Transcriptase in Complex with GF128590., PDB code: 3dle:

Chlorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GF128590.


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 Reverse Transcriptase in Complex with GF128590. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl999 b:43.7 occ:1.00 CL1 A:GFA999 0.0 43.7 1.0 C10 A:GFA999 1.7 27.1 1.0 C11 A:GFA999 2.6 34.6 1.0 C9 A:GFA999 2.7 35.8 1.0 O A:TYR188 3.1 40.2 1.0 N A:GLY190 3.4 30.9 1.0 O A:VAL179 3.6 49.6 1.0 C A:TYR188 3.6 34.9 1.0 CA A:GLY190 3.9 29.3 1.0 C12 A:GFA999 3.9 28.4 1.0 C A:VAL189 4.0 34.7 1.0 C8 A:GFA999 4.0 30.7 1.0 CB A:TYR188 4.0 41.5 1.0 N A:VAL189 4.1 33.2 1.0 CA A:VAL189 4.2 28.4 1.0 C A:VAL179 4.2 49.6 1.0 N A:TYR181 4.2 39.6 1.0 CG1 A:VAL179 4.2 59.3 1.0 CB A:VAL179 4.4 57.2 1.0 CB A:TYR181 4.4 47.1 1.0 CA A:TYR188 4.5 36.7 1.0 C13 A:GFA999 4.5 30.2 1.0 CG1 A:VAL106 4.5 20.1 1.0 CA A:ILE180 4.6 38.3 1.0 N A:ILE180 4.7 47.2 1.0 C A:ILE180 4.8 41.5 1.0 O A:VAL189 4.8 42.1 1.0 CG2 A:VAL106 4.8 27.8 1.0 CA A:VAL179 5.0 52.1 1.0 CA A:TYR181 5.0 37.6 1.0

J.Ren, P.P.Chamberlain, A.Stamp, S.A.Short, K.L.Weaver, K.R.Romines, R.Hazen, A.Freeman, R.G.Ferris, C.W.Andrews, L.Boone, J.H.Chan, D.K.Stammers. Structural Basis For the Improved Drug Resistance Profile of New Generation Benzophenone Non-Nucleoside Hiv-1 Reverse Transcriptase Inhibitors. J.Med.Chem. V. 51 5000 2008.
ISSN: ISSN 0022-2623
PubMed: 18665583
DOI: 10.1021/JM8004493