Fluorine in PDB 8fn7: Structure of Wt Hiv-1 Intasome Bound to Dolutegravir

The structure of Structure of Wt Hiv-1 Intasome Bound to Dolutegravir also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Magnesium	(Mg)	4 atoms

The binding sites of Fluorine atom in the Structure of Wt Hiv-1 Intasome Bound to Dolutegravir (pdb code 8fn7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structure of Wt Hiv-1 Intasome Bound to Dolutegravir, PDB code: 8fn7:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Structure of Wt Hiv-1 Intasome Bound to Dolutegravir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Wt Hiv-1 Intasome Bound to Dolutegravir within 5.0Å range: probe atom residue distance (Å) B Occ A:F304 b:39.7 occ:1.00 FAF A:DLU304 0.0 39.7 1.0 CAT A:DLU304 1.3 29.7 1.0 CAJ A:DLU304 2.3 26.4 1.0 CAH A:DLU304 2.3 25.9 1.0 N1 E:DG18 3.0 20.4 1.0 CG A:GLN146 3.1 22.4 1.0 C6 E:DG18 3.1 20.5 1.0 CD A:GLN146 3.2 29.7 1.0 NE2 A:GLN146 3.2 33.6 1.0 C2 E:DG18 3.3 17.8 1.0 N A:GLN146 3.4 30.1 1.0 C5 E:DG18 3.4 17.9 1.0 CAU A:DLU304 3.5 31.0 1.0 CA A:GLN146 3.5 24.5 1.0 CAI A:DLU304 3.6 24.3 1.0 O6 E:DG18 3.6 30.2 1.0 C4 E:DG18 3.7 17.6 1.0 N3 E:DG18 3.7 22.4 1.0 OE1 A:GLN146 3.8 31.6 1.0 C A:PRO145 3.8 22.0 1.0 CB A:GLN146 3.9 20.7 1.0 N2 E:DG18 4.0 15.8 1.0 CAV A:DLU304 4.0 24.2 1.0 CB A:PRO145 4.3 32.4 1.0 N7 E:DG18 4.3 23.9 1.0 N3 F:DC20 4.4 16.6 1.0 O A:HOH429 4.5 23.1 1.0 FAG A:DLU304 4.5 45.9 1.0 N9 E:DG18 4.6 13.4 1.0 CA A:PRO145 4.6 24.3 1.0 N4 F:DC20 4.7 15.7 1.0 C4 F:DC20 4.8 13.2 1.0 CG A:PRO145 4.8 17.8 1.0 C8 E:DG18 4.8 21.6 1.0 CD A:PRO145 4.9 16.7 1.0 C A:GLN146 4.9 29.6 1.0

Fluorine binding site 2 out of 4 in the Structure of Wt Hiv-1 Intasome Bound to Dolutegravir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Wt Hiv-1 Intasome Bound to Dolutegravir within 5.0Å range: probe atom residue distance (Å) B Occ A:F304 b:45.9 occ:1.00 FAG A:DLU304 0.0 45.9 1.0 CAU A:DLU304 1.3 31.0 1.0 CAJ A:DLU304 2.3 26.4 1.0 CAV A:DLU304 2.3 24.2 1.0 NAP A:DLU304 2.6 25.5 1.0 CAN A:DLU304 2.7 28.3 1.0 C2' F:DC20 3.1 10.9 1.0 OE1 A:GLU152 3.1 33.9 1.0 CB A:GLU152 3.2 23.7 1.0 N1 F:DC20 3.3 15.1 1.0 CG A:GLU152 3.3 23.1 1.0 C2 F:DC20 3.4 15.5 1.0 CD A:GLU152 3.5 32.5 1.0 C1' F:DC20 3.5 12.2 1.0 CAT A:DLU304 3.5 29.7 1.0 CAI A:DLU304 3.5 24.3 1.0 O2 F:DC20 3.6 11.0 1.0 C6 F:DC20 3.8 14.9 1.0 CB A:PRO145 3.9 32.4 1.0 CAR A:DLU304 3.9 31.1 1.0 OAD A:DLU304 4.0 30.6 1.0 CAH A:DLU304 4.0 25.9 1.0 N3 F:DC20 4.0 16.6 1.0 C5 F:DC20 4.3 14.4 1.0 C4 F:DC20 4.4 13.2 1.0 OE2 A:GLU152 4.4 34.1 1.0 CA A:GLU152 4.5 26.2 1.0 C3' F:DC20 4.5 10.4 1.0 FAF A:DLU304 4.5 39.7 1.0 CG A:PRO145 4.6 17.8 1.0 N2 E:DG18 4.7 15.8 1.0 MG A:MG302 4.7 41.4 1.0 OAB A:DLU304 4.7 35.1 1.0 CAZ A:DLU304 4.7 25.8 1.0 CAX A:DLU304 4.8 27.3 1.0 O4' F:DC20 4.8 14.1 1.0 C A:GLU152 4.9 26.5 1.0 O A:GLU152 5.0 33.4 1.0

Fluorine binding site 3 out of 4 in the Structure of Wt Hiv-1 Intasome Bound to Dolutegravir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Wt Hiv-1 Intasome Bound to Dolutegravir within 5.0Å range: probe atom residue distance (Å) B Occ G:F304 b:39.7 occ:1.00 FAF G:DLU304 0.0 39.7 1.0 CAT G:DLU304 1.3 29.7 1.0 CAJ G:DLU304 2.3 26.4 1.0 CAH G:DLU304 2.3 25.9 1.0 N1 K:DG18 3.0 20.4 1.0 CG G:GLN146 3.1 22.4 1.0 C6 K:DG18 3.1 20.5 1.0 CD G:GLN146 3.1 29.7 1.0 NE2 G:GLN146 3.2 33.6 1.0 C2 K:DG18 3.3 17.8 1.0 N G:GLN146 3.4 30.1 1.0 C5 K:DG18 3.5 17.9 1.0 CAU G:DLU304 3.5 31.0 1.0 CA G:GLN146 3.5 24.5 1.0 CAI G:DLU304 3.6 24.3 1.0 O6 K:DG18 3.6 30.2 1.0 C4 K:DG18 3.7 17.6 1.0 N3 K:DG18 3.7 22.4 1.0 OE1 G:GLN146 3.8 31.6 1.0 C G:PRO145 3.8 22.0 1.0 CB G:GLN146 3.9 20.7 1.0 N2 K:DG18 4.0 15.8 1.0 CAV G:DLU304 4.0 24.2 1.0 CB G:PRO145 4.3 32.4 1.0 N7 K:DG18 4.3 23.9 1.0 N3 L:DC20 4.4 16.6 1.0 O G:HOH429 4.5 23.1 1.0 FAG G:DLU304 4.5 45.9 1.0 N9 K:DG18 4.6 13.4 1.0 CA G:PRO145 4.6 24.3 1.0 N4 L:DC20 4.7 15.7 1.0 CG G:PRO145 4.8 17.8 1.0 C4 L:DC20 4.8 13.2 1.0 C8 K:DG18 4.8 21.6 1.0 CD G:PRO145 4.9 16.7 1.0 C G:GLN146 4.9 29.6 1.0

Fluorine binding site 4 out of 4 in the Structure of Wt Hiv-1 Intasome Bound to Dolutegravir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Wt Hiv-1 Intasome Bound to Dolutegravir within 5.0Å range: probe atom residue distance (Å) B Occ G:F304 b:45.9 occ:1.00 FAG G:DLU304 0.0 45.9 1.0 CAU G:DLU304 1.3 31.0 1.0 CAJ G:DLU304 2.3 26.4 1.0 CAV G:DLU304 2.3 24.2 1.0 NAP G:DLU304 2.6 25.5 1.0 CAN G:DLU304 2.7 28.3 1.0 C2' L:DC20 3.1 10.9 1.0 OE1 G:GLU152 3.1 33.9 1.0 CB G:GLU152 3.2 23.7 1.0 N1 L:DC20 3.3 15.1 1.0 CG G:GLU152 3.3 23.1 1.0 C2 L:DC20 3.4 15.5 1.0 CD G:GLU152 3.5 32.5 1.0 C1' L:DC20 3.5 12.2 1.0 CAT G:DLU304 3.5 29.7 1.0 CAI G:DLU304 3.5 24.3 1.0 O2 L:DC20 3.6 11.0 1.0 C6 L:DC20 3.8 14.9 1.0 CB G:PRO145 3.9 32.4 1.0 CAR G:DLU304 3.9 31.1 1.0 OAD G:DLU304 4.0 30.6 1.0 CAH G:DLU304 4.0 25.9 1.0 N3 L:DC20 4.0 16.6 1.0 C5 L:DC20 4.3 14.4 1.0 C4 L:DC20 4.4 13.2 1.0 OE2 G:GLU152 4.4 34.1 1.0 CA G:GLU152 4.5 26.2 1.0 FAF G:DLU304 4.5 39.7 1.0 C3' L:DC20 4.6 10.4 1.0 CG G:PRO145 4.6 17.8 1.0 N2 K:DG18 4.7 15.8 1.0 MG G:MG302 4.7 41.4 1.0 OAB G:DLU304 4.7 35.1 1.0 CAZ G:DLU304 4.7 25.8 1.0 CAX G:DLU304 4.8 27.3 1.0 O4' L:DC20 4.9 14.1 1.0 C G:GLU152 4.9 26.5 1.0 O G:GLU152 5.0 33.4 1.0

M.Li, D.Oliveira Passos, Z.Shan, S.J.Smith, Q.Sun, A.Biswas, I.Choudhuri, T.S.Strutzenberg, A.Haldane, N.Deng, Z.Li, X.Z.Zhao, L.Briganti, M.Kvaratskhelia, T.R.Burke Jr., R.M.Levy, S.H.Hughes, R.Craigie, D.Lyumkis. Mechanisms of Hiv-1 Integrase Resistance to Dolutegravir and Potent Inhibition of Drug-Resistant Variants. Sci Adv V. 9 G5953 2023.
ISSN: ESSN 2375-2548
PubMed: 37478179
DOI: 10.1126/SCIADV.ADG5953