Fluorine in PDB 8fnn: Structure of E138K/G140A/Q148K Hiv-1 Intasome with Dolutegravir Bound

The structure of Structure of E138K/G140A/Q148K Hiv-1 Intasome with Dolutegravir Bound also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Structure of E138K/G140A/Q148K Hiv-1 Intasome with Dolutegravir Bound (pdb code 8fnn). 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/Q148K Hiv-1 Intasome with Dolutegravir Bound, PDB code: 8fnn:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Structure of E138K/G140A/Q148K 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/Q148K Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ F:F101 b:7.0 occ:1.00 FAF F:DLU101 0.0 7.0 1.0 CAT F:DLU101 1.3 0.0 1.0 CAJ F:DLU101 2.3 0.0 1.0 CAH F:DLU101 2.3 5.8 1.0 C6 E:DG18 2.9 2.9 1.0 N1 E:DG18 3.0 0.0 1.0 C5 E:DG18 3.3 5.7 1.0 O6 E:DG18 3.3 10.2 1.0 CG A:GLN146 3.3 4.0 1.0 CD A:GLN146 3.4 6.3 1.0 C2 E:DG18 3.4 0.0 1.0 CAU F:DLU101 3.5 2.2 1.0 NE2 A:GLN146 3.5 8.8 1.0 CAI F:DLU101 3.6 7.0 1.0 C4 E:DG18 3.7 5.5 1.0 N3 E:DG18 3.8 0.0 1.0 O E:HOH129 4.0 6.8 1.0 OE1 A:GLN146 4.0 10.6 1.0 N A:GLN146 4.0 5.2 1.0 CAV F:DLU101 4.0 10.1 1.0 CA A:GLN146 4.1 6.7 1.0 N7 E:DG18 4.1 0.0 1.0 N2 E:DG18 4.1 0.0 1.0 N3 F:DC20 4.2 3.2 1.0 CB A:GLN146 4.3 8.1 1.0 N4 F:DC20 4.3 8.3 1.0 C A:PRO145 4.3 2.4 1.0 CB A:PRO145 4.4 4.1 1.0 C4 F:DC20 4.5 2.4 1.0 FAG F:DLU101 4.6 6.0 1.0 N9 E:DG18 4.6 6.5 1.0 O A:PRO145 4.7 12.6 1.0 C8 E:DG18 4.8 1.0 1.0 C2 F:DC20 4.9 7.8 1.0 O A:HOH501 5.0 9.7 1.0 CA A:PRO145 5.0 5.1 1.0

Fluorine binding site 2 out of 4 in the Structure of E138K/G140A/Q148K 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/Q148K Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ F:F101 b:6.0 occ:1.00 FAG F:DLU101 0.0 6.0 1.0 CAU F:DLU101 1.3 2.2 1.0 CAJ F:DLU101 2.3 0.0 1.0 CAV F:DLU101 2.3 10.1 1.0 NAP F:DLU101 2.7 8.9 1.0 CAN F:DLU101 2.8 8.2 1.0 C2' F:DC20 3.0 13.5 1.0 CG A:GLU152 3.2 5.1 1.0 CB A:GLU152 3.2 5.1 1.0 N1 F:DC20 3.3 11.2 1.0 OE1 A:GLU152 3.4 9.9 1.0 CD A:GLU152 3.4 7.9 1.0 C2 F:DC20 3.4 7.8 1.0 CAT F:DLU101 3.5 0.0 1.0 C1' F:DC20 3.5 4.1 1.0 CAI F:DLU101 3.6 7.0 1.0 C6 F:DC20 3.7 8.9 1.0 O2 F:DC20 3.7 7.3 1.0 CB A:PRO145 3.9 4.1 1.0 N3 F:DC20 4.0 3.2 1.0 CAH F:DLU101 4.0 5.8 1.0 CAR F:DLU101 4.1 9.6 1.0 OE2 A:GLU152 4.2 5.7 1.0 C5 F:DC20 4.2 9.5 1.0 C4 F:DC20 4.3 2.4 1.0 OAD F:DLU101 4.4 16.6 1.0 CA A:GLU152 4.5 3.9 1.0 C3' F:DC20 4.5 19.5 1.0 FAF F:DLU101 4.6 7.0 1.0 N2 E:DG18 4.7 0.0 1.0 MG A:MG302 4.8 1.6 1.0 CG A:PRO145 4.8 7.0 1.0 OAB F:DLU101 4.8 15.1 1.0 O4' F:DC20 4.9 14.3 1.0

Fluorine binding site 3 out of 4 in the Structure of E138K/G140A/Q148K 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/Q148K Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ G:F304 b:7.0 occ:1.00 FAF G:DLU304 0.0 7.0 1.0 CAT G:DLU304 1.3 0.0 1.0 CAJ G:DLU304 2.3 0.0 1.0 CAH G:DLU304 2.3 5.8 1.0 C6 K:DG18 3.0 2.9 1.0 N1 K:DG18 3.0 0.0 1.0 CG G:GLN146 3.3 4.0 1.0 C5 K:DG18 3.3 5.7 1.0 CD G:GLN146 3.3 6.3 1.0 O6 K:DG18 3.4 10.2 1.0 C2 K:DG18 3.4 0.0 1.0 NE2 G:GLN146 3.5 8.8 1.0 CAU G:DLU304 3.5 2.2 1.0 CAI G:DLU304 3.6 7.0 1.0 C4 K:DG18 3.7 5.5 1.0 N3 K:DG18 3.8 0.0 1.0 OE1 G:GLN146 3.9 10.6 1.0 N G:GLN146 3.9 5.2 1.0 O K:HOH129 4.0 6.8 1.0 CAV G:DLU304 4.0 10.1 1.0 CA G:GLN146 4.0 6.7 1.0 N7 K:DG18 4.1 0.0 1.0 N2 K:DG18 4.2 0.0 1.0 CB G:GLN146 4.2 8.1 1.0 N3 L:DC20 4.3 3.2 1.0 C G:PRO145 4.3 2.4 1.0 N4 L:DC20 4.4 8.3 1.0 CB G:PRO145 4.4 4.1 1.0 C4 L:DC20 4.5 2.4 1.0 FAG G:DLU304 4.6 6.0 1.0 N9 K:DG18 4.6 6.5 1.0 O G:PRO145 4.6 12.6 1.0 C8 K:DG18 4.7 1.0 1.0 O G:HOH500 5.0 9.7 1.0 CA G:PRO145 5.0 5.1 1.0

Fluorine binding site 4 out of 4 in the Structure of E138K/G140A/Q148K 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/Q148K Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ G:F304 b:6.0 occ:1.00 FAG G:DLU304 0.0 6.0 1.0 CAU G:DLU304 1.3 2.2 1.0 CAJ G:DLU304 2.3 0.0 1.0 CAV G:DLU304 2.3 10.1 1.0 NAP G:DLU304 2.7 8.9 1.0 CAN G:DLU304 2.8 8.2 1.0 C2' L:DC20 3.1 13.5 1.0 CG G:GLU152 3.2 5.1 1.0 CB G:GLU152 3.2 5.1 1.0 N1 L:DC20 3.3 11.2 1.0 CD G:GLU152 3.4 7.9 1.0 OE1 G:GLU152 3.4 9.9 1.0 C2 L:DC20 3.5 7.8 1.0 CAT G:DLU304 3.5 0.0 1.0 CAI G:DLU304 3.6 7.0 1.0 C1' L:DC20 3.6 4.1 1.0 C6 L:DC20 3.7 8.9 1.0 O2 L:DC20 3.7 7.3 1.0 CB G:PRO145 3.9 4.1 1.0 N3 L:DC20 4.0 3.2 1.0 CAH G:DLU304 4.0 5.8 1.0 CAR G:DLU304 4.1 9.6 1.0 OE2 G:GLU152 4.1 5.7 1.0 C5 L:DC20 4.2 9.5 1.0 C4 L:DC20 4.3 2.4 1.0 OAD G:DLU304 4.4 16.6 1.0 CA G:GLU152 4.5 3.9 1.0 C3' L:DC20 4.5 19.5 1.0 FAF G:DLU304 4.6 7.0 1.0 N2 K:DG18 4.7 0.0 1.0 CG G:PRO145 4.8 7.0 1.0 MG G:MG302 4.8 1.6 1.0 OAB G:DLU304 4.8 15.1 1.0 O4' L:DC20 4.9 14.3 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