Fluorine in PDB 8fnp: Structure of E138K/G140S/Q148H Hiv-1 Intasome with Dolutegravir Bound

The structure of Structure of E138K/G140S/Q148H 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/G140S/Q148H Hiv-1 Intasome with Dolutegravir Bound (pdb code 8fnp). 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/G140S/Q148H Hiv-1 Intasome with Dolutegravir Bound, PDB code: 8fnp:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Structure of E138K/G140S/Q148H 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/G140S/Q148H Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ F:F101 b:15.1 occ:1.00 FAF F:DLU101 0.0 15.1 1.0 CAT F:DLU101 1.3 9.1 1.0 CAH F:DLU101 2.4 6.4 1.0 CAJ F:DLU101 2.4 0.0 1.0 C6 E:DG18 2.9 6.8 1.0 N1 E:DG18 2.9 0.7 1.0 CG A:GLN146 3.0 3.0 1.0 C5 E:DG18 3.1 6.7 1.0 C2 E:DG18 3.2 0.7 1.0 CD A:GLN146 3.2 7.2 1.0 C4 E:DG18 3.3 0.0 1.0 O6 E:DG18 3.4 6.8 1.0 N3 E:DG18 3.5 0.0 1.0 NE2 A:GLN146 3.5 5.2 1.0 CAU F:DLU101 3.6 6.5 1.0 CAI F:DLU101 3.6 11.7 1.0 CA A:GLN146 3.7 2.2 1.0 O E:HOH115 3.8 12.2 1.0 N A:GLN146 3.8 10.8 1.0 OE1 A:GLN146 3.8 7.4 1.0 CB A:GLN146 3.9 9.8 1.0 N7 E:DG18 3.9 2.0 1.0 N2 E:DG18 4.0 0.6 1.0 CAV F:DLU101 4.1 21.7 1.0 N9 E:DG18 4.2 7.5 1.0 N3 F:DC20 4.4 3.5 1.0 C8 E:DG18 4.4 4.5 1.0 N4 F:DC20 4.5 6.8 1.0 C A:PRO145 4.5 11.4 1.0 FAG F:DLU101 4.7 20.6 1.0 C4 F:DC20 4.7 10.7 1.0 CB A:PRO145 4.7 8.6 1.0 O A:HOH450 4.9 0.0 1.0 O A:PRO145 5.0 0.0 1.0

Fluorine binding site 2 out of 4 in the Structure of E138K/G140S/Q148H 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/G140S/Q148H Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ F:F101 b:20.6 occ:1.00 FAG F:DLU101 0.0 20.6 1.0 CAU F:DLU101 1.3 6.5 1.0 CAJ F:DLU101 2.3 0.0 1.0 CAV F:DLU101 2.4 21.7 1.0 NAP F:DLU101 2.8 16.1 1.0 CAN F:DLU101 2.9 19.1 1.0 CB A:GLU152 3.2 0.5 1.0 OE1 A:GLU152 3.2 10.9 1.0 CG A:GLU152 3.3 5.9 1.0 C2' F:DC20 3.3 13.9 1.0 N1 F:DC20 3.4 17.6 1.0 C2 F:DC20 3.4 7.0 1.0 CD A:GLU152 3.5 10.1 1.0 CAT F:DLU101 3.6 9.1 1.0 CAI F:DLU101 3.6 11.7 1.0 O2 F:DC20 3.6 2.7 1.0 C1' F:DC20 3.7 9.1 1.0 OAD F:DLU101 3.7 16.7 1.0 C6 F:DC20 3.8 10.1 1.0 N3 F:DC20 3.9 3.5 1.0 CB A:PRO145 4.0 8.6 1.0 CAR F:DLU101 4.1 13.0 1.0 CAH F:DLU101 4.1 6.4 1.0 C4 F:DC20 4.2 10.7 1.0 C5 F:DC20 4.2 14.5 1.0 CA A:GLU152 4.4 5.7 1.0 OE2 A:GLU152 4.4 8.6 1.0 CAZ F:DLU101 4.6 19.0 1.0 N2 E:DG18 4.6 0.6 1.0 FAF F:DLU101 4.7 15.1 1.0 CG A:PRO145 4.8 13.7 1.0 C3' F:DC20 4.8 21.7 1.0 CAX F:DLU101 4.8 12.4 1.0 C A:GLU152 4.9 0.0 1.0 OAB F:DLU101 4.9 26.8 1.0 MG A:MG302 5.0 11.8 1.0

Fluorine binding site 3 out of 4 in the Structure of E138K/G140S/Q148H 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/G140S/Q148H Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ L:F101 b:15.1 occ:1.00 FAF L:DLU101 0.0 15.1 1.0 CAT L:DLU101 1.3 9.1 1.0 CAH L:DLU101 2.4 6.4 1.0 CAJ L:DLU101 2.4 0.0 1.0 C6 K:DG18 2.9 6.8 1.0 N1 K:DG18 2.9 0.7 1.0 CG G:GLN146 3.0 3.0 1.0 C5 K:DG18 3.1 6.7 1.0 C2 K:DG18 3.2 0.7 1.0 CD G:GLN146 3.2 7.2 1.0 C4 K:DG18 3.3 0.0 1.0 O6 K:DG18 3.4 6.8 1.0 N3 K:DG18 3.5 0.0 1.0 NE2 G:GLN146 3.5 5.2 1.0 CAU L:DLU101 3.6 6.5 1.0 CAI L:DLU101 3.6 11.7 1.0 CA G:GLN146 3.7 2.2 1.0 O K:HOH115 3.8 12.2 1.0 N G:GLN146 3.8 10.8 1.0 OE1 G:GLN146 3.8 7.4 1.0 CB G:GLN146 3.9 9.8 1.0 N7 K:DG18 3.9 2.0 1.0 N2 K:DG18 4.0 0.6 1.0 CAV L:DLU101 4.1 21.7 1.0 N9 K:DG18 4.2 7.5 1.0 N3 L:DC20 4.4 3.5 1.0 C8 K:DG18 4.4 4.5 1.0 N4 L:DC20 4.5 6.8 1.0 C G:PRO145 4.5 11.4 1.0 FAG L:DLU101 4.7 20.6 1.0 C4 L:DC20 4.7 10.7 1.0 CB G:PRO145 4.7 8.6 1.0 O G:HOH450 4.9 0.0 1.0 O G:PRO145 5.0 0.0 1.0

Fluorine binding site 4 out of 4 in the Structure of E138K/G140S/Q148H 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/G140S/Q148H Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ L:F101 b:20.6 occ:1.00 FAG L:DLU101 0.0 20.6 1.0 CAU L:DLU101 1.3 6.5 1.0 CAJ L:DLU101 2.3 0.0 1.0 CAV L:DLU101 2.4 21.7 1.0 NAP L:DLU101 2.8 16.1 1.0 CAN L:DLU101 2.9 19.1 1.0 CB G:GLU152 3.2 0.5 1.0 OE1 G:GLU152 3.2 10.9 1.0 CG G:GLU152 3.3 5.9 1.0 C2' L:DC20 3.3 13.9 1.0 N1 L:DC20 3.4 17.6 1.0 C2 L:DC20 3.4 7.0 1.0 CD G:GLU152 3.5 10.1 1.0 CAT L:DLU101 3.6 9.1 1.0 CAI L:DLU101 3.6 11.7 1.0 O2 L:DC20 3.6 2.7 1.0 C1' L:DC20 3.7 9.1 1.0 OAD L:DLU101 3.7 16.7 1.0 C6 L:DC20 3.8 10.1 1.0 N3 L:DC20 3.9 3.5 1.0 CB G:PRO145 4.0 8.6 1.0 CAR L:DLU101 4.1 13.0 1.0 CAH L:DLU101 4.1 6.4 1.0 C4 L:DC20 4.2 10.7 1.0 C5 L:DC20 4.2 14.5 1.0 CA G:GLU152 4.4 5.7 1.0 OE2 G:GLU152 4.4 8.6 1.0 CAZ L:DLU101 4.6 19.0 1.0 N2 K:DG18 4.6 0.6 1.0 FAF L:DLU101 4.7 15.1 1.0 CG G:PRO145 4.8 13.7 1.0 C3' L:DC20 4.8 21.7 1.0 CAX L:DLU101 4.8 12.4 1.0 C G:GLU152 4.9 0.0 1.0 OAB L:DLU101 4.9 26.8 1.0 MG G:MG302 5.0 11.8 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