Chlorine in PDB 1rev: Hiv-1 Reverse Transcriptase

All present enzymatic activity of Hiv-1 Reverse Transcriptase:
2.7.7.49;

The structure of Hiv-1 Reverse Transcriptase, PDB code: 1rev was solved by J.Ren, R.Esnouf, A.Hopkins, C.Ross, Y.Jones, D.Stammers, D.Stuart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	138.800, 115.800, 66.200, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / n/a

The structure of Hiv-1 Reverse Transcriptase also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Hiv-1 Reverse Transcriptase (pdb code 1rev). 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 Reverse Transcriptase, PDB code: 1rev:

Chlorine binding site 1 out of 1 in the Hiv-1 Reverse Transcriptase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hiv-1 Reverse Transcriptase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl999 b:65.3 occ:1.00 CL9 A:TB9999 0.0 65.3 1.0 C9 A:TB9999 1.7 34.1 1.0 C8 A:TB9999 2.6 30.6 1.0 C10 A:TB9999 2.7 27.7 1.0 O A:HIS235 3.0 65.9 1.0 C A:HIS235 3.2 67.4 1.0 N A:HIS235 3.7 65.0 1.0 N A:PRO236 3.7 65.2 1.0 C A:LEU234 3.8 64.5 1.0 OH A:TYR318 3.9 35.6 1.0 CA A:HIS235 3.9 66.9 1.0 CB A:LEU234 3.9 57.0 1.0 C7A A:TB9999 3.9 27.8 1.0 C1A A:TB9999 4.0 29.6 1.0 CD2 A:PHE227 4.0 78.3 1.0 CA A:PRO236 4.0 59.0 1.0 O A:LEU234 4.1 62.1 1.0 CG2 A:VAL106 4.1 55.1 1.0 CE2 A:PHE227 4.2 69.8 1.0 CB A:VAL106 4.5 55.0 1.0 CA A:LEU234 4.5 65.7 1.0 C3A A:TB9999 4.5 26.2 1.0 CG1 A:VAL106 4.6 43.2 1.0 CD A:PRO236 4.7 60.1 1.0 CG A:LEU234 4.7 48.7 1.0 CZ A:TYR318 4.8 31.2 1.0 C A:PRO236 4.9 55.6 1.0 CG A:PRO236 5.0 62.0 1.0

J.Ren, R.Esnouf, A.Hopkins, C.Ross, Y.Jones, D.Stammers, D.Stuart. The Structure of Hiv-1 Reverse Transcriptase Complexed with 9-Chloro-Tibo: Lessons For Inhibitor Design. Structure V. 3 915 1995.
ISSN: ISSN 0969-2126
PubMed: 8535785
DOI: 10.1016/S0969-2126(01)00226-X