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

Other elements in 8fnj:

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

Fluorine Binding Sites:

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 8fnj

Go back to Fluorine Binding Sites List in 8fnj
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 8fnj

Go back to Fluorine Binding Sites List in 8fnj
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 8fnj

Go back to Fluorine Binding Sites List in 8fnj
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 8fnj

Go back to Fluorine Binding Sites List in 8fnj
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

Reference:

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
Page generated: Fri Aug 2 19:23:02 2024

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