Chlorine in PDB 3i0r: Crystal Structure of Hiv Reverse Transcriptase in Complex with Inhibitor 3

All present enzymatic activity of Crystal Structure of Hiv Reverse Transcriptase in Complex with Inhibitor 3:
2.7.7.49; 2.7.7.7; 3.1.26.4;

The structure of Crystal Structure of Hiv Reverse Transcriptase in Complex with Inhibitor 3, PDB code: 3i0r was solved by Y.Yan, S.Prasad, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.98
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	119.327, 155.308, 154.590, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 29.5

The binding sites of Chlorine atom in the Crystal Structure of Hiv Reverse Transcriptase in Complex with Inhibitor 3 (pdb code 3i0r). 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 Reverse Transcriptase in Complex with Inhibitor 3, PDB code: 3i0r:

Chlorine binding site 1 out of 1 in the Crystal Structure of Hiv Reverse Transcriptase in Complex with Inhibitor 3


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 Reverse Transcriptase in Complex with Inhibitor 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:0.3 occ:1.00 CL22 A:RT3601 0.0 0.3 1.0 C21 A:RT3601 1.8 0.7 1.0 C20 A:RT3601 2.7 0.1 1.0 C16 A:RT3601 2.9 0.8 1.0 N15 A:RT3601 3.2 0.9 1.0 O A:HIS235 3.2 67.2 1.0 O A:LEU234 3.4 69.5 1.0 C A:HIS235 3.5 68.0 1.0 CG1 A:VAL106 3.7 75.0 1.0 N A:PRO236 3.8 68.6 1.0 C A:LEU234 3.9 68.8 1.0 O28 A:RT3601 3.9 97.8 1.0 C19 A:RT3601 4.0 0.4 1.0 CA A:PRO236 4.1 68.9 1.0 CE2 A:PHE227 4.1 79.3 1.0 C17 A:RT3601 4.1 0.2 1.0 CD2 A:PHE227 4.1 78.7 1.0 CA A:HIS235 4.2 68.0 1.0 N A:HIS235 4.3 68.6 1.0 C14 A:RT3601 4.4 0.8 1.0 CB A:LEU234 4.4 67.6 1.0 OH A:TYR318 4.4 57.5 1.0 C18 A:RT3601 4.6 0.6 1.0 CD A:PRO236 4.8 68.4 1.0 CA A:LEU234 4.8 68.2 1.0 C13 A:RT3601 4.8 0.5 1.0 C A:PRO236 5.0 69.2 1.0 C11 A:RT3601 5.0 96.1 1.0

D.S.Su, J.J.Lim, E.Tinney, B.L.Wan, M.B.Young, K.D.Anderson, D.Rudd, V.Munshi, C.Bahnck, P.J.Felock, M.Lu, M.T.Lai, S.Touch, G.Moyer, D.J.Distefano, J.A.Flynn, Y.Liang, R.Sanchez, S.Prasad, Y.Yan, R.Perlow-Poehnelt, M.Torrent, M.Miller, J.P.Vacca, T.M.Williams, N.J.Anthony. Substituted Tetrahydroquinolines As Potent Allosteric Inhibitors of Reverse Transcriptase and Its Key Mutants. Bioorg.Med.Chem.Lett. V. 19 5119 2009.
ISSN: ISSN 0960-894X
PubMed: 19631528
DOI: 10.1016/J.BMCL.2009.07.031