Fluorine in PDB 6ujx: Hiv-1 Wild-Type Reverse Transcriptase-Dna Complex with (-)-Ftc-Tp

All present enzymatic activity of Hiv-1 Wild-Type Reverse Transcriptase-Dna Complex with (-)-Ftc-Tp:
2.7.7.49; 2.7.7.7; 3.1.13.2; 3.1.26.13; 3.4.23.16;

The structure of Hiv-1 Wild-Type Reverse Transcriptase-Dna Complex with (-)-Ftc-Tp, PDB code: 6ujx was solved by E.B.Lansdon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.60 / 2.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	169.804, 167.685, 103.309, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 24.4

The structure of Hiv-1 Wild-Type Reverse Transcriptase-Dna Complex with (-)-Ftc-Tp also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Hiv-1 Wild-Type Reverse Transcriptase-Dna Complex with (-)-Ftc-Tp (pdb code 6ujx). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Hiv-1 Wild-Type Reverse Transcriptase-Dna Complex with (-)-Ftc-Tp, PDB code: 6ujx:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Hiv-1 Wild-Type Reverse Transcriptase-Dna Complex with (-)-Ftc-Tp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Hiv-1 Wild-Type Reverse Transcriptase-Dna Complex with (-)-Ftc-Tp within 5.0Å range: probe atom residue distance (Å) B Occ A:F604 b:34.7 occ:0.45 FAJ A:1RY604 0.0 34.7 0.5 FAJ A:1RY604 0.2 34.8 0.6 CAU A:1RY604 1.3 34.0 0.5 CAU A:1RY604 1.4 34.0 0.6 CAT A:1RY604 2.4 34.0 0.5 CAT A:1RY604 2.4 34.0 0.6 CAK A:1RY604 2.4 33.4 0.5 CAK A:1RY604 2.5 33.4 0.6 NAA A:1RY604 2.6 34.8 0.6 NAA A:1RY604 2.7 34.8 0.5 NH1 A:ARG72 3.3 41.5 1.0 NAY A:1RY604 3.6 32.8 0.5 C5 P:DOC822 3.6 30.0 1.0 NAN A:1RY604 3.6 33.3 0.5 NAN A:1RY604 3.6 33.3 0.6 C4 P:DOC822 3.6 33.6 1.0 NH2 A:ARG72 3.7 40.9 1.0 NAY A:1RY604 3.7 31.8 0.6 CZ A:ARG72 3.7 42.2 1.0 C6 P:DOC822 3.7 31.7 1.0 N3 P:DOC822 3.8 35.9 1.0 N1 P:DOC822 3.9 31.1 1.0 C2 P:DOC822 3.9 36.4 1.0 CAV A:1RY604 4.0 33.1 0.5 CAV A:1RY604 4.1 33.1 0.6 N4 P:DOC822 4.3 31.6 1.0 OAD A:1RY604 4.3 40.1 0.6 NE A:ARG72 4.6 37.9 1.0 C1' P:DOC822 4.6 35.9 1.0 O2 P:DOC822 4.7 39.3 1.0 C2' P:DOC822 4.7 41.1 1.0 CAX A:1RY604 4.8 32.3 0.5 CAX A:1RY604 4.9 32.3 0.6 OAP A:1RY604 5.0 34.8 0.5

Fluorine binding site 2 out of 2 in the Hiv-1 Wild-Type Reverse Transcriptase-Dna Complex with (-)-Ftc-Tp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Hiv-1 Wild-Type Reverse Transcriptase-Dna Complex with (-)-Ftc-Tp within 5.0Å range: probe atom residue distance (Å) B Occ A:F604 b:34.8 occ:0.55 FAJ A:1RY604 0.0 34.8 0.6 FAJ A:1RY604 0.2 34.7 0.5 CAU A:1RY604 1.3 34.0 0.5 CAU A:1RY604 1.3 34.0 0.6 CAK A:1RY604 2.3 33.4 0.5 CAT A:1RY604 2.3 34.0 0.5 CAT A:1RY604 2.4 34.0 0.6 CAK A:1RY604 2.4 33.4 0.6 NAA A:1RY604 2.7 34.8 0.6 NAA A:1RY604 2.7 34.8 0.5 NH1 A:ARG72 3.2 41.5 1.0 NAY A:1RY604 3.5 32.8 0.5 NH2 A:ARG72 3.5 40.9 1.0 CZ A:ARG72 3.5 42.2 1.0 NAN A:1RY604 3.5 33.3 0.5 NAY A:1RY604 3.6 31.8 0.6 NAN A:1RY604 3.6 33.3 0.6 C5 P:DOC822 3.7 30.0 1.0 C4 P:DOC822 3.8 33.6 1.0 C6 P:DOC822 3.8 31.7 1.0 CAV A:1RY604 3.9 33.1 0.5 N3 P:DOC822 3.9 35.9 1.0 N1 P:DOC822 4.0 31.1 1.0 CAV A:1RY604 4.0 33.1 0.6 C2 P:DOC822 4.0 36.4 1.0 OAD A:1RY604 4.2 40.1 0.6 N4 P:DOC822 4.4 31.6 1.0 NE A:ARG72 4.5 37.9 1.0 CAX A:1RY604 4.6 32.3 0.5 C1' P:DOC822 4.7 35.9 1.0 C2' P:DOC822 4.7 41.1 1.0 O2 P:DOC822 4.7 39.3 1.0 CAX A:1RY604 4.7 32.3 0.6 OAP A:1RY604 4.8 34.8 0.5 OAP A:1RY604 4.9 34.8 0.6 OAO A:1RY604 4.9 40.0 0.6

M.Hung, E.J.Tokarsky, L.Lagpacan, L.Zhang, Z.Suo, E.B.Lansdon. Elucidating Molecular Interactions of L-Nucleotides with Hiv-1 Reverse Transcriptase and Mechanism of M184V-Caused Drug Resistance Commun Biol V. 2 2019.
ISSN: ESSN 2399-3642
DOI: 10.1038/S42003-019-0706-X