Chlorine in PDB 1tkz: Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW429576

All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW429576:
2.7.7.49;

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW429576, PDB code: 1tkz was solved by A.L.Hopkins, J.Ren, 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)	29.81 / 2.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	137.800, 115.200, 65.000, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 28.3

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW429576 (pdb code 1tkz). 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 GW429576, PDB code: 1tkz:

Chlorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW429576


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 GW429576 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl999 b:59.5 occ:1.00 CL A:H16999 0.0 59.5 1.0 C8 A:H16999 1.7 48.5 1.0 C9 A:H16999 2.7 58.7 1.0 C7 A:H16999 2.7 44.8 1.0 O A:LEU234 3.2 61.5 1.0 O A:HIS235 3.5 64.8 1.0 C A:HIS235 3.6 64.8 1.0 C A:LEU234 3.6 60.2 1.0 CB A:LEU234 3.7 55.6 1.0 CD2 A:PHE227 3.7 50.8 1.0 N A:PRO236 3.8 64.2 1.0 C3 A:H16999 4.0 44.2 1.0 N A:HIS235 4.0 62.1 1.0 C10 A:H16999 4.0 56.7 1.0 CA A:PRO236 4.0 59.0 1.0 CE2 A:PHE227 4.0 45.5 1.0 OH A:TYR318 4.1 38.9 1.0 CA A:HIS235 4.2 65.0 1.0 CA A:LEU234 4.2 59.5 1.0 CG A:PRO225 4.5 74.6 1.0 CD A:PRO236 4.5 66.8 1.0 C2 A:H16999 4.5 51.6 1.0 CG2 A:VAL106 4.6 37.3 1.0 CG1 A:VAL106 4.7 35.3 1.0 CB A:VAL106 4.7 44.3 1.0 CB A:PRO225 4.7 71.6 1.0 CG A:PRO236 4.7 58.7 1.0 CG A:PHE227 4.9 55.8 1.0 CG A:LEU234 4.9 55.7 1.0

A.L.Hopkins, J.Ren, J.Milton, R.J.Hazen, J.H.Chan, D.I.Stuart, D.K.Stammers. Design of Non-Nucleoside Inhibitors of Hiv-1 Reverse Transcriptase with Improved Drug Resistance Properties. 1. J.Med.Chem. V. 47 5912 2004.
ISSN: ISSN 0022-2623
PubMed: 15537346
DOI: 10.1021/JM040071Z