Chlorine in PDB 3ffi: Hiv-1 Rt with Pyridone Non-Nucleoside Inhibitor

All present enzymatic activity of Hiv-1 Rt with Pyridone Non-Nucleoside Inhibitor:
2.7.7.49; 2.7.7.7; 3.1.26.4;

The structure of Hiv-1 Rt with Pyridone Non-Nucleoside Inhibitor, PDB code: 3ffi was solved by S.F.Harris, A.Villasenor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.78 / 2.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	117.112, 153.052, 153.102, 90.00, 90.00, 90.00
R / Rfree (%)	23.4 / 28.5

The binding sites of Chlorine atom in the Hiv-1 Rt with Pyridone Non-Nucleoside Inhibitor (pdb code 3ffi). 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 Rt with Pyridone Non-Nucleoside Inhibitor, PDB code: 3ffi:

Chlorine binding site 1 out of 1 in the Hiv-1 Rt with Pyridone Non-Nucleoside Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hiv-1 Rt with Pyridone Non-Nucleoside Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl561 b:78.2 occ:1.00 CL9 A:3OB561 0.0 78.2 1.0 C3 A:3OB561 1.7 77.5 1.0 C4 A:3OB561 2.7 77.7 1.0 C2 A:3OB561 2.7 77.4 1.0 CH2 A:TRP229 3.4 85.5 1.0 CD2 A:TYR181 3.6 82.6 1.0 CZ3 A:TRP229 3.6 85.6 1.0 CE2 A:TYR181 3.7 82.7 1.0 CD2 A:LEU100 3.9 75.1 1.0 CZ2 A:TRP229 3.9 85.4 1.0 CB A:PRO95 4.0 78.0 1.0 C5 A:3OB561 4.0 77.9 1.0 C1 A:3OB561 4.0 77.6 1.0 CG A:PRO95 4.1 78.2 1.0 CD1 A:LEU100 4.2 75.0 1.0 CE3 A:TRP229 4.3 85.7 1.0 CG A:TYR181 4.4 82.4 1.0 C6 A:3OB561 4.5 77.6 1.0 CG A:LEU100 4.5 75.3 1.0 CZ A:TYR181 4.6 82.3 1.0 CE2 A:TRP229 4.6 85.4 1.0 CD2 A:TRP229 4.7 85.7 1.0 CD A:PRO95 4.9 78.6 1.0

J.Kennedy-Smith, Z.K.Sweeney. Pyridone Diaryl Ether Non-Nucleoside Inhibitors of Hiv-1 Reverse Transcriptase To Be Published.