Fluorine in PDB 7z2g: Cryo-Em Structure of Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine

All present enzymatic activity of Cryo-Em Structure of Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine:
2.7.7.49; 2.7.7.7; 3.1.13.2; 3.1.26.13;

The structure of Cryo-Em Structure of Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Cryo-Em Structure of Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine (pdb code 7z2g). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Cryo-Em Structure of Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine, PDB code: 7z2g:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Cryo-Em Structure of Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryo-Em Structure of Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:13.8 occ:1.00 F A:2KW601 0.0 13.8 1.0 C13 A:2KW601 1.4 13.8 1.0 F15 A:2KW601 2.2 13.8 1.0 F14 A:2KW601 2.2 13.8 1.0 C8 A:2KW601 2.4 13.8 1.0 C9 A:2KW601 2.8 13.8 1.0 CG1 A:VAL179 3.1 12.9 1.0 CD1 A:TYR181 3.2 8.5 1.0 CE1 A:TYR181 3.6 8.5 1.0 C7 A:2KW601 3.7 13.8 1.0 O A:VAL179 3.9 12.9 1.0 O A:TYR188 4.0 12.6 1.0 CG A:TYR181 4.0 8.5 1.0 CB A:VAL179 4.1 12.9 1.0 O A:2KW601 4.2 13.8 1.0 C A:VAL179 4.3 12.9 1.0 C10 A:2KW601 4.3 13.8 1.0 N A:TYR181 4.3 8.5 1.0 CB A:TYR181 4.4 8.5 1.0 N A:GLY190 4.4 18.9 1.0 CZ A:TYR181 4.6 8.5 1.0 C A:TYR188 4.7 12.6 1.0 N A:ILE180 4.7 10.4 1.0 CA A:GLY190 4.8 18.9 1.0 CA A:VAL179 4.8 12.9 1.0 CD2 A:LEU100 4.9 8.8 1.0 C A:ILE180 4.9 10.4 1.0 CD2 A:TYR181 4.9 8.5 1.0 C1 A:2KW601 4.9 13.8 1.0 C A:VAL189 4.9 10.9 1.0 C12 A:2KW601 4.9 13.8 1.0 CA A:ILE180 5.0 10.4 1.0 CA A:TYR181 5.0 8.5 1.0

Fluorine binding site 2 out of 3 in the Cryo-Em Structure of Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryo-Em Structure of Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:13.8 occ:1.00 F14 A:2KW601 0.0 13.8 1.0 C13 A:2KW601 1.4 13.8 1.0 F15 A:2KW601 2.2 13.8 1.0 F A:2KW601 2.2 13.8 1.0 C8 A:2KW601 2.3 13.8 1.0 O A:TYR188 2.8 12.6 1.0 N A:GLY190 3.0 18.9 1.0 C A:VAL189 3.0 10.9 1.0 C A:TYR188 3.1 12.6 1.0 C7 A:2KW601 3.1 13.8 1.0 O A:2KW601 3.2 13.8 1.0 N A:VAL189 3.2 10.9 1.0 CA A:VAL189 3.3 10.9 1.0 C9 A:2KW601 3.4 13.8 1.0 O A:VAL189 3.5 10.9 1.0 O A:VAL179 3.6 12.9 1.0 CA A:GLY190 3.6 18.9 1.0 CB A:TYR188 3.9 12.6 1.0 CA A:TYR188 4.0 12.6 1.0 C2 A:2KW601 4.4 13.8 1.0 C A:VAL179 4.5 12.9 1.0 C12 A:2KW601 4.5 13.8 1.0 CG1 A:VAL106 4.5 19.0 1.0 N A:TYR181 4.6 8.5 1.0 C10 A:2KW601 4.7 13.8 1.0 CG1 A:VAL179 4.7 12.9 1.0 C A:GLY190 4.9 18.9 1.0 CD1 A:TYR181 4.9 8.5 1.0 C1 A:2KW601 4.9 13.8 1.0 CB A:VAL189 4.9 10.9 1.0 CA A:ILE180 5.0 10.4 1.0

Fluorine binding site 3 out of 3 in the Cryo-Em Structure of Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryo-Em Structure of Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:13.8 occ:1.00 F15 A:2KW601 0.0 13.8 1.0 C13 A:2KW601 1.4 13.8 1.0 F14 A:2KW601 2.2 13.8 1.0 F A:2KW601 2.2 13.8 1.0 C8 A:2KW601 2.3 13.8 1.0 O A:2KW601 2.6 13.8 1.0 C7 A:2KW601 2.8 13.8 1.0 CB A:TYR188 3.1 12.6 1.0 C1 A:2KW601 3.1 13.8 1.0 O A:TYR188 3.1 12.6 1.0 C2 A:2KW601 3.2 13.8 1.0 CB A:TYR181 3.3 8.5 1.0 CG A:TYR181 3.5 8.5 1.0 CD1 A:TYR181 3.5 8.5 1.0 C A:TYR188 3.6 12.6 1.0 C9 A:2KW601 3.6 13.8 1.0 CA A:TYR188 3.9 12.6 1.0 N A:TYR181 3.9 8.5 1.0 CG A:TYR188 4.2 12.6 1.0 CA A:TYR181 4.3 8.5 1.0 C12 A:2KW601 4.3 13.8 1.0 C A:2KW601 4.4 13.8 1.0 CD2 A:TYR181 4.4 8.5 1.0 CE1 A:TYR181 4.4 8.5 1.0 CD2 A:TYR188 4.4 12.6 1.0 N A:VAL189 4.4 10.9 1.0 C3 A:2KW601 4.5 13.8 1.0 CD2 A:LEU100 4.8 8.8 1.0 N A:TYR188 4.8 12.6 1.0 C10 A:2KW601 4.9 13.8 1.0 O A:VAL179 4.9 12.9 1.0 C A:ILE180 5.0 10.4 1.0 O A:TYR181 5.0 8.5 1.0

A.K.Singh, B.De Wijngaert, M.Bijnens, K.Uyttersprot, H.Nguyen, S.E.Martinez, D.Schols, P.Herdewijn, C.Pannecouque, E.Arnold, K.Das. Cryo-Em Structures of Wild-Type and E138K/M184I Mutant Hiv-1 Rt/Dna Complexed with Inhibitors Doravirine and Rilpivirine. Proc.Natl.Acad.Sci.Usa V. 119 60119 2022.
ISSN: ESSN 1091-6490
PubMed: 35858448
DOI: 10.1073/PNAS.2203660119