Fluorine in PDB 1tkx: Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW490745

All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW490745:
2.7.7.49;

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW490745, PDB code: 1tkx was solved by J.Ren, A.L.Hopkins, 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)	29.63 / 2.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	138.200, 109.700, 72.800, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 28.7

The binding sites of Fluorine atom in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW490745 (pdb code 1tkx). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW490745, PDB code: 1tkx:

Fluorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW490745


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW490745 within 5.0Å range: probe atom residue distance (Å) B Occ A:F999 b:46.2 occ:1.00 F A:GWB999 0.0 46.2 1.0 C8 A:GWB999 1.4 47.4 1.0 C7 A:GWB999 2.4 39.1 1.0 C9 A:GWB999 2.4 48.5 1.0 CB A:LEU234 3.2 41.1 1.0 C3 A:GWB999 3.7 39.2 1.0 C10 A:GWB999 3.7 44.1 1.0 CD2 A:PHE227 3.8 55.5 1.0 CD1 A:LEU234 4.0 37.8 1.0 C A:LEU234 4.0 50.9 1.0 OH A:TYR318 4.1 27.7 1.0 O A:LEU234 4.1 48.2 1.0 O A:HIS235 4.2 71.3 1.0 CG1 A:VAL106 4.2 51.3 1.0 C2 A:GWB999 4.2 41.8 1.0 CG A:LEU234 4.2 37.0 1.0 CA A:LEU234 4.3 44.3 1.0 N A:HIS235 4.4 59.9 1.0 C A:HIS235 4.4 67.2 1.0 CE2 A:PHE227 4.6 56.2 1.0 CB A:PHE227 4.6 52.6 1.0 CG A:PHE227 4.7 54.6 1.0 CG2 A:VAL106 4.7 40.2 1.0 CB A:VAL106 4.7 50.4 1.0 C4 A:GWB999 4.9 41.2 1.0 CA A:HIS235 4.9 66.4 1.0 N A:PRO236 4.9 63.8 1.0 CD1 A:LEU100 5.0 18.3 1.0 CZ A:TYR318 5.0 29.7 1.0

G.A.Freeman, C.W.Andrews Iii, A.L.Hopkins, G.S.Lowell, L.T.Schaller, J.R.Cowan, S.S.Gonzales, G.W.Koszalka, R.J.Hazen, L.R.Boone, R.G.Ferris, K.L.Creech, G.B.Roberts, S.A.Short, K.Weaver, D.J.Reynolds, J.Milton, J.Ren, D.I.Stuart, D.K.Stammers, J.H.Chan. Design of Non-Nucleoside Inhibitors of Hiv-1 Reverse Transcriptase with Improved Drug Resistance Properties. 2. J.Med.Chem. V. 47 5923 2004.
ISSN: ISSN 0022-2623
PubMed: 15537347
DOI: 10.1021/JM040072R