Fluorine in PDB 7lqu: Crystal Structure of Hiv-1 Rt in Complex with Nbd-14075

All present enzymatic activity of Crystal Structure of Hiv-1 Rt in Complex with Nbd-14075:
2.7.7.49;

The structure of Crystal Structure of Hiv-1 Rt in Complex with Nbd-14075, PDB code: 7lqu was solved by N.Losada, F.X.Ruiz, K.Gruber, K.Das, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.90 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	161.679, 73.05, 107.29, 90, 99.58, 90
R / Rfree (%)	24.8 / 31

The structure of Crystal Structure of Hiv-1 Rt in Complex with Nbd-14075 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Hiv-1 Rt in Complex with Nbd-14075 (pdb code 7lqu). 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 Rt in Complex with Nbd-14075, PDB code: 7lqu:

Fluorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 Rt in Complex with Nbd-14075


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 Rt in Complex with Nbd-14075 within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:97.4 occ:1.00 F01 A:YBD601 0.0 97.4 1.0 C02 A:YBD601 1.4 98.7 1.0 C25 A:YBD601 2.4 98.8 1.0 C03 A:YBD601 2.4 100.7 1.0 CL26 A:YBD601 3.0 98.1 1.0 CB A:TYR183 3.2 104.0 1.0 N A:TYR183 3.6 103.0 1.0 C04 A:YBD601 3.6 102.0 1.0 C24 A:YBD601 3.6 99.7 1.0 CA A:TYR183 3.9 104.5 1.0 CB A:TYR188 3.9 98.8 1.0 O A:TYR183 3.9 108.7 1.0 CG A:TYR183 4.1 104.6 1.0 C23 A:YBD601 4.1 101.6 1.0 CD2 A:TYR183 4.1 106.5 1.0 O A:ASP186 4.3 104.3 1.0 C A:TYR183 4.3 108.3 1.0 N A:GLN182 4.5 98.4 1.0 CB A:TYR181 4.5 94.9 1.0 C A:GLN182 4.5 100.9 1.0 N A:TYR188 4.6 102.8 1.0 C A:TYR181 4.6 97.5 1.0 O A:TYR181 4.7 98.5 1.0 CG A:TYR188 4.7 98.3 1.0 CD2 A:TYR188 4.7 98.5 1.0 CA A:TYR188 4.9 101.6 1.0 CA A:GLN182 4.9 100.3 1.0 C05 A:YBD601 4.9 103.9 1.0

N.Losada, F.X.Ruiz, F.Curreli, K.Gruber, A.Pilch, K.Das, A.K.Debnath, E.Arnold. Hiv-1 GP120 Antagonists Also Inhibit Hiv-1 Reverse Transcriptase By Bridging the Nnrti and Nrti Sites. J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
PubMed: 34735153
DOI: 10.1021/ACS.JMEDCHEM.1C01104