Fluorine in PDB 8fnj: Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound

The structure of Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound (pdb code 8fnj). 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 E138K/G140A Hiv-1 Intasome with Dolutegravir Bound, PDB code: 8fnj:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:F304 b:48.9 occ:1.00 FAF A:DLU304 0.0 48.9 1.0 CAT A:DLU304 1.3 38.6 1.0 CAJ A:DLU304 2.4 32.7 1.0 CAH A:DLU304 2.4 32.7 1.0 CG A:GLN146 3.0 27.8 1.0 C6 E:DG18 3.2 25.2 1.0 N1 E:DG18 3.2 24.0 1.0 CD A:GLN146 3.3 43.1 1.0 NE2 A:GLN146 3.3 41.8 1.0 C5 E:DG18 3.4 28.6 1.0 C2 E:DG18 3.4 23.6 1.0 C4 E:DG18 3.6 26.9 1.0 CAU A:DLU304 3.6 42.8 1.0 CAI A:DLU304 3.6 37.0 1.0 N3 E:DG18 3.7 25.0 1.0 O6 E:DG18 3.7 27.4 1.0 CA A:GLN146 3.7 39.5 1.0 N A:GLN146 3.7 47.7 1.0 CB A:GLN146 3.9 29.0 1.0 C A:PRO145 4.0 29.5 1.0 OE1 A:GLN146 4.1 43.8 1.0 CAV A:DLU304 4.1 40.5 1.0 N2 E:DG18 4.1 18.8 1.0 N7 E:DG18 4.1 26.2 1.0 N3 F:DC20 4.3 34.0 1.0 CB A:PRO145 4.4 34.4 1.0 N9 E:DG18 4.4 28.7 1.0 N4 F:DC20 4.6 33.3 1.0 C8 E:DG18 4.6 24.7 1.0 FAG A:DLU304 4.7 54.5 1.0 C4 F:DC20 4.7 31.9 1.0 CA A:PRO145 4.8 41.8 1.0 O L:HOH110 4.9 35.6 1.0 CG A:PRO145 5.0 31.3 1.0 C2 F:DC20 5.0 31.5 1.0

Fluorine binding site 2 out of 4 in the Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:F304 b:54.5 occ:1.00 FAG A:DLU304 0.0 54.5 1.0 CAU A:DLU304 1.3 42.8 1.0 CAJ A:DLU304 2.3 32.7 1.0 CAV A:DLU304 2.4 40.5 1.0 NAP A:DLU304 2.6 31.0 1.0 CAN A:DLU304 2.8 32.7 1.0 OE1 A:GLU152 3.1 42.0 1.0 C2' F:DC20 3.2 28.9 1.0 CG A:GLU152 3.3 33.4 1.0 CD A:GLU152 3.3 39.9 1.0 CB A:GLU152 3.3 26.4 1.0 OAD A:DLU304 3.6 52.5 1.0 CAT A:DLU304 3.6 38.6 1.0 CAI A:DLU304 3.6 37.0 1.0 C2 F:DC20 3.7 31.5 1.0 N1 F:DC20 3.7 34.4 1.0 O2 F:DC20 3.8 29.4 1.0 CAR A:DLU304 3.9 31.2 1.0 CB A:PRO145 3.9 34.4 1.0 C1' F:DC20 3.9 29.7 1.0 CAH A:DLU304 4.1 32.7 1.0 OE2 A:GLU152 4.2 39.4 1.0 N3 F:DC20 4.2 34.0 1.0 C6 F:DC20 4.2 33.4 1.0 CAZ A:DLU304 4.4 39.2 1.0 MG A:MG302 4.5 38.0 1.0 CA A:GLU152 4.5 31.2 1.0 C3' F:DC20 4.6 31.5 1.0 CAX A:DLU304 4.6 27.7 1.0 C4 F:DC20 4.7 31.9 1.0 FAF A:DLU304 4.7 48.9 1.0 OAB A:DLU304 4.7 49.4 1.0 C5 F:DC20 4.7 32.6 1.0 CG A:PRO145 4.8 31.3 1.0 N2 E:DG18 5.0 18.8 1.0

Fluorine binding site 3 out of 4 in the Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ G:F304 b:48.9 occ:1.00 FAF G:DLU304 0.0 48.9 1.0 CAT G:DLU304 1.3 38.6 1.0 CAJ G:DLU304 2.4 32.7 1.0 CAH G:DLU304 2.4 32.7 1.0 CG G:GLN146 3.0 27.8 1.0 C6 K:DG18 3.2 25.2 1.0 N1 K:DG18 3.2 24.0 1.0 CD G:GLN146 3.3 43.1 1.0 NE2 G:GLN146 3.3 41.8 1.0 C5 K:DG18 3.4 28.6 1.0 C2 K:DG18 3.4 23.6 1.0 C4 K:DG18 3.6 26.9 1.0 CAU G:DLU304 3.6 42.8 1.0 CAI G:DLU304 3.6 37.0 1.0 N3 K:DG18 3.7 25.0 1.0 O6 K:DG18 3.7 27.4 1.0 CA G:GLN146 3.7 39.5 1.0 N G:GLN146 3.7 47.7 1.0 CB G:GLN146 3.9 29.0 1.0 C G:PRO145 4.0 29.5 1.0 OE1 G:GLN146 4.1 43.8 1.0 CAV G:DLU304 4.1 40.5 1.0 N2 K:DG18 4.1 18.8 1.0 N7 K:DG18 4.1 26.2 1.0 N3 L:DC20 4.3 34.0 1.0 CB G:PRO145 4.4 34.4 1.0 N9 K:DG18 4.4 28.7 1.0 N4 L:DC20 4.6 33.3 1.0 C8 K:DG18 4.6 24.7 1.0 FAG G:DLU304 4.7 54.5 1.0 C4 L:DC20 4.7 31.9 1.0 CA G:PRO145 4.8 41.8 1.0 O F:HOH110 4.9 35.6 1.0 CG G:PRO145 5.0 31.3 1.0 C2 L:DC20 5.0 31.5 1.0

Fluorine binding site 4 out of 4 in the Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ G:F304 b:54.5 occ:1.00 FAG G:DLU304 0.0 54.5 1.0 CAU G:DLU304 1.3 42.8 1.0 CAJ G:DLU304 2.3 32.7 1.0 CAV G:DLU304 2.4 40.5 1.0 NAP G:DLU304 2.6 31.0 1.0 CAN G:DLU304 2.8 32.7 1.0 OE1 G:GLU152 3.1 42.0 1.0 C2' L:DC20 3.2 28.9 1.0 CG G:GLU152 3.3 33.4 1.0 CD G:GLU152 3.3 39.9 1.0 CB G:GLU152 3.3 26.4 1.0 OAD G:DLU304 3.6 52.5 1.0 CAT G:DLU304 3.6 38.6 1.0 CAI G:DLU304 3.6 37.0 1.0 C2 L:DC20 3.7 31.5 1.0 N1 L:DC20 3.7 34.4 1.0 O2 L:DC20 3.8 29.4 1.0 CAR G:DLU304 3.9 31.2 1.0 CB G:PRO145 3.9 34.4 1.0 C1' L:DC20 3.9 29.7 1.0 CAH G:DLU304 4.1 32.7 1.0 OE2 G:GLU152 4.2 39.4 1.0 N3 L:DC20 4.2 34.0 1.0 C6 L:DC20 4.2 33.4 1.0 CAZ G:DLU304 4.4 39.2 1.0 MG G:MG302 4.5 38.0 1.0 CA G:GLU152 4.5 31.2 1.0 C3' L:DC20 4.6 31.5 1.0 CAX G:DLU304 4.6 27.7 1.0 C4 L:DC20 4.7 31.9 1.0 FAF G:DLU304 4.7 48.9 1.0 OAB G:DLU304 4.7 49.4 1.0 C5 L:DC20 4.7 32.6 1.0 CG G:PRO145 4.8 31.3 1.0 N2 K:DG18 5.0 18.8 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