Chlorine in PDB 1dtt: Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Pett- 2 (PETT130A94)

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Pett- 2 (PETT130A94), PDB code: 1dtt was solved by J.Ren, J.Diprose, J.Warren, R.M.Esnouf, L.E.Bird, S.Ikemizu, M.Slater, J.Milton, J.Balzarini, D.I.Stuart, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	140.700, 110.800, 73.400, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 27.6

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Pett- 2 (PETT130A94) also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Pett- 2 (PETT130A94) (pdb code 1dtt). 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 Pett- 2 (PETT130A94), PDB code: 1dtt:

Chlorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Pett- 2 (PETT130A94)


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 Pett- 2 (PETT130A94) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl999 b:60.8 occ:1.00 CL7 A:FTC999 0.0 60.8 1.0 C4 A:FTC999 1.7 43.6 1.0 C5 A:FTC999 2.7 37.3 1.0 C3 A:FTC999 2.7 38.1 1.0 O A:HIS235 3.6 76.7 1.0 C A:HIS235 3.6 76.4 1.0 CB A:LEU234 3.7 62.9 1.0 N A:HIS235 3.9 72.8 1.0 N2 A:FTC999 4.0 46.1 1.0 OH A:TYR318 4.0 47.2 1.0 C6 A:FTC999 4.0 39.4 1.0 C A:LEU234 4.0 70.3 1.0 N A:PRO236 4.0 76.4 1.0 CD2 A:PHE227 4.0 72.9 1.0 CA A:HIS235 4.2 74.5 1.0 CG2 A:VAL106 4.2 45.1 1.0 O A:LEU234 4.3 70.9 1.0 CG A:LEU234 4.3 62.3 1.0 CA A:PRO236 4.3 71.8 1.0 CD2 A:LEU234 4.4 57.1 1.0 CA A:LEU234 4.5 67.3 1.0 C1 A:FTC999 4.5 42.8 1.0 CB A:VAL106 4.5 47.5 1.0 CD A:PRO236 4.6 71.1 1.0 CG1 A:VAL106 4.6 49.3 1.0 CG A:PRO236 4.6 72.9 1.0 CB A:FTC999 4.7 69.7 1.0 CE2 A:PHE227 4.7 74.9 1.0 CA A:FTC999 4.8 71.6 1.0 CB A:PHE227 4.9 71.7 1.0 CG A:PHE227 4.9 72.9 1.0 CZ A:TYR318 4.9 54.1 1.0

J.Ren, J.Diprose, J.Warren, R.M.Esnouf, L.E.Bird, S.Ikemizu, M.Slater, J.Milton, J.Balzarini, D.I.Stuart, D.K.Stammers. Phenylethylthiazolylthiourea (Pett) Non-Nucleoside Inhibitors of Hiv-1 and Hiv-2 Reverse Transcriptases. Structural and Biochemical Analyses. J.Biol.Chem. V. 275 5633 2000.
ISSN: ISSN 0021-9258
PubMed: 10681546
DOI: 10.1074/JBC.275.8.5633