Fluorine in PDB 1dtq: Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Pett- 1 (PETT131A94)

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Pett- 1 (PETT131A94), PDB code: 1dtq 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 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	137.100, 115.000, 65.600, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 29.5

The binding sites of Fluorine atom in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Pett- 1 (PETT131A94) (pdb code 1dtq). 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 Pett- 1 (PETT131A94), PDB code: 1dtq:

Fluorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Pett- 1 (PETT131A94)


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 Pett- 1 (PETT131A94) within 5.0Å range: probe atom residue distance (Å) B Occ A:F999 b:66.5 occ:1.00 F18 A:FPT999 0.0 66.5 1.0 C18 A:FPT999 1.3 66.9 1.0 C17 A:FPT999 2.4 65.7 1.0 C13 A:FPT999 2.4 65.7 1.0 O17 A:FPT999 2.8 64.5 1.0 C12 A:FPT999 3.0 58.3 1.0 CB A:TYR188 3.1 42.5 1.0 N2 A:FPT999 3.4 36.1 1.0 C11 A:FPT999 3.5 46.3 1.0 CA A:FPT999 3.6 60.7 1.0 C3 A:FPT999 3.6 37.4 1.0 N14 A:FPT999 3.7 67.1 1.0 C16 A:FPT999 3.7 61.7 1.0 CG1 A:VAL106 3.9 43.7 1.0 N10 A:FPT999 3.9 43.9 1.0 C A:TYR188 4.0 40.6 1.0 CG A:TYR188 4.1 45.2 1.0 O A:TYR188 4.1 40.2 1.0 CA A:TYR188 4.1 42.4 1.0 CD2 A:TYR188 4.1 47.2 1.0 C15 A:FPT999 4.2 63.2 1.0 N A:VAL189 4.4 40.9 1.0 C1 A:FPT999 4.6 41.9 1.0 CB A:FPT999 4.7 59.5 1.0 C A:VAL189 4.8 39.6 1.0 CG2 A:VAL106 4.9 45.4 1.0 N A:GLY190 4.9 41.3 1.0 CB A:TYR181 4.9 36.1 1.0 CA A:VAL189 5.0 39.4 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