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Fluorine in PDB 6rwo: Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir

Other elements in 6rwo:

The structure of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms
Zinc (Zn) 8 atoms
Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir (pdb code 6rwo). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir, PDB code: 6rwo:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 6rwo

Go back to Fluorine Binding Sites List in 6rwo
Fluorine binding site 1 out of 6 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F303

b:26.6
occ:1.00
 FAE A:KLQ303 0.0 26.6 1.0
CAT A:KLQ303 1.3 26.6 1.0
CAI A:KLQ303 2.3 26.6 1.0
CAH A:KLQ303 2.3 26.6 1.0
CD A:GLN146 3.1 28.4 1.0
N1 S:DG5 3.2 43.4 1.0
C6 S:DG5 3.2 43.4 1.0
NE2 A:GLN146 3.2 28.4 1.0
CG A:GLN146 3.3 28.4 1.0
O6 S:DG5 3.6 43.4 1.0
CAV A:KLQ303 3.6 26.6 1.0
C5 S:DG5 3.6 43.4 1.0
CAU A:KLQ303 3.6 26.6 1.0
C2 S:DG5 3.6 43.4 1.0
OE1 A:GLN146 3.7 28.4 1.0
C4 S:DG5 3.9 43.4 1.0
N3 S:DG5 4.0 43.4 1.0
CAY A:KLQ303 4.1 26.6 1.0
N A:GLN146 4.2 28.4 1.0
CA A:GLN146 4.2 28.4 1.0
N2 S:DG5 4.3 43.4 1.0
CB A:GLN146 4.3 28.4 1.0
N7 S:DG5 4.4 43.4 1.0
N3 T:DC20 4.4 38.4 1.0
C A:PRO145 4.4 18.2 1.0
N4 T:DC20 4.4 38.4 1.0
O A:PRO145 4.5 18.2 1.0
FAG A:KLQ303 4.6 26.6 1.0
FAF A:KLQ303 4.6 26.6 1.0
C4 T:DC20 4.7 38.4 1.0
CB A:PRO145 4.7 18.2 1.0
N9 S:DG5 4.8 43.4 1.0
C8 S:DG5 5.0 43.4 1.0

Fluorine binding site 2 out of 6 in 6rwo

Go back to Fluorine Binding Sites List in 6rwo
Fluorine binding site 2 out of 6 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F303

b:26.6
occ:1.00
 FAF A:KLQ303 0.0 26.6 1.0
CAU A:KLQ303 1.3 26.6 1.0
CAH A:KLQ303 2.3 26.6 1.0
CAY A:KLQ303 2.3 26.6 1.0
CAK A:KLQ303 2.8 26.6 1.0
CAV A:KLQ303 3.5 26.6 1.0
CAT A:KLQ303 3.5 26.6 1.0
OAA A:KLQ303 3.9 26.6 1.0
NAP A:KLQ303 3.9 26.6 1.0
CAI A:KLQ303 4.1 26.6 1.0
CAR A:KLQ303 4.3 26.6 1.0
C5 T:DC20 4.5 38.4 1.0
FAE A:KLQ303 4.6 26.6 1.0
N4 T:DC20 4.7 38.4 1.0
FAG A:KLQ303 4.7 26.6 1.0
C4 T:DC20 4.7 38.4 1.0
CG A:PRO145 5.0 18.2 1.0

Fluorine binding site 3 out of 6 in 6rwo

Go back to Fluorine Binding Sites List in 6rwo
Fluorine binding site 3 out of 6 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F303

b:26.6
occ:1.00
 FAG A:KLQ303 0.0 26.6 1.0
CAV A:KLQ303 1.3 26.6 1.0
CAI A:KLQ303 2.3 26.6 1.0
CAY A:KLQ303 2.4 26.6 1.0
CAK A:KLQ303 2.9 26.6 1.0
NAP A:KLQ303 2.9 26.6 1.0
CB A:GLU152 3.3 22.7 1.0
C2' T:DC20 3.3 38.4 1.0
CD A:GLU152 3.4 22.7 1.0
CG A:GLU152 3.4 22.7 1.0
CAT A:KLQ303 3.5 26.6 1.0
CAU A:KLQ303 3.6 26.6 1.0
OE1 A:GLU152 3.6 22.7 1.0
OAC A:KLQ303 3.7 26.6 1.0
N1 T:DC20 3.8 38.4 1.0
C2 T:DC20 3.8 38.4 1.0
OE2 A:GLU152 3.9 22.7 1.0
O2 T:DC20 3.9 38.4 1.0
C1' T:DC20 4.0 38.4 1.0
CAH A:KLQ303 4.1 26.6 1.0
CB A:PRO145 4.1 18.2 1.0
CAR A:KLQ303 4.1 26.6 1.0
C6 T:DC20 4.3 38.4 1.0
N3 T:DC20 4.3 38.4 1.0
CBA A:KLQ303 4.6 26.6 1.0
FAE A:KLQ303 4.6 26.6 1.0
CA A:GLU152 4.6 22.7 1.0
FAF A:KLQ303 4.7 26.6 1.0
MG A:MG305 4.7 21.1 1.0
C3' T:DC20 4.7 38.4 1.0
C4 T:DC20 4.8 38.4 1.0
C5 T:DC20 4.8 38.4 1.0
CAX A:KLQ303 4.8 26.6 1.0
CG A:PRO145 4.9 18.2 1.0
N2 S:DG5 4.9 43.4 1.0
OAA A:KLQ303 4.9 26.6 1.0
O A:PRO145 5.0 18.2 1.0

Fluorine binding site 4 out of 6 in 6rwo

Go back to Fluorine Binding Sites List in 6rwo
Fluorine binding site 4 out of 6 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F303

b:25.3
occ:1.00
 FAE I:KLQ303 0.0 25.3 1.0
CAT I:KLQ303 1.3 25.3 1.0
CAI I:KLQ303 2.3 25.3 1.0
CAH I:KLQ303 2.3 25.3 1.0
CD I:GLN146 3.2 29.0 1.0
N1 Q:DG5 3.2 43.4 1.0
C6 Q:DG5 3.2 43.4 1.0
NE2 I:GLN146 3.2 29.0 1.0
CG I:GLN146 3.3 29.0 1.0
CAV I:KLQ303 3.6 25.3 1.0
CAU I:KLQ303 3.6 25.3 1.0
O6 Q:DG5 3.6 43.4 1.0
C5 Q:DG5 3.6 43.4 1.0
C2 Q:DG5 3.6 43.4 1.0
OE1 I:GLN146 3.7 29.0 1.0
C4 Q:DG5 3.9 43.4 1.0
N3 Q:DG5 4.0 43.4 1.0
CAY I:KLQ303 4.1 25.3 1.0
N I:GLN146 4.2 29.0 1.0
CA I:GLN146 4.2 29.0 1.0
N2 Q:DG5 4.3 43.4 1.0
CB I:GLN146 4.3 29.0 1.0
C I:PRO145 4.4 18.9 1.0
N3 W:DC20 4.4 34.7 1.0
N7 Q:DG5 4.4 43.4 1.0
N4 W:DC20 4.4 34.7 1.0
O I:PRO145 4.5 18.9 1.0
CB I:PRO145 4.6 18.9 1.0
FAG I:KLQ303 4.6 25.3 1.0
FAF I:KLQ303 4.6 25.3 1.0
C4 W:DC20 4.6 34.7 1.0
N9 Q:DG5 4.8 43.4 1.0

Fluorine binding site 5 out of 6 in 6rwo

Go back to Fluorine Binding Sites List in 6rwo
Fluorine binding site 5 out of 6 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F303

b:25.3
occ:1.00
 FAF I:KLQ303 0.0 25.3 1.0
CAU I:KLQ303 1.3 25.3 1.0
CAH I:KLQ303 2.3 25.3 1.0
CAY I:KLQ303 2.3 25.3 1.0
CAK I:KLQ303 2.8 25.3 1.0
CAV I:KLQ303 3.5 25.3 1.0
CAT I:KLQ303 3.5 25.3 1.0
OAA I:KLQ303 3.9 25.3 1.0
NAP I:KLQ303 3.9 25.3 1.0
CAI I:KLQ303 4.1 25.3 1.0
CAR I:KLQ303 4.3 25.3 1.0
C5 W:DC20 4.5 34.7 1.0
FAE I:KLQ303 4.6 25.3 1.0
FAG I:KLQ303 4.7 25.3 1.0
N4 W:DC20 4.7 34.7 1.0
C4 W:DC20 4.7 34.7 1.0
CG I:PRO145 4.9 18.9 1.0

Fluorine binding site 6 out of 6 in 6rwo

Go back to Fluorine Binding Sites List in 6rwo
Fluorine binding site 6 out of 6 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F303

b:25.3
occ:1.00
 FAG I:KLQ303 0.0 25.3 1.0
CAV I:KLQ303 1.3 25.3 1.0
CAI I:KLQ303 2.3 25.3 1.0
CAY I:KLQ303 2.4 25.3 1.0
CAK I:KLQ303 2.9 25.3 1.0
NAP I:KLQ303 2.9 25.3 1.0
CB I:GLU152 3.3 21.6 1.0
C2' W:DC20 3.3 34.7 1.0
CD I:GLU152 3.3 21.6 1.0
CG I:GLU152 3.4 21.6 1.0
OE1 I:GLU152 3.5 21.6 1.0
CAT I:KLQ303 3.5 25.3 1.0
CAU I:KLQ303 3.6 25.3 1.0
OAC I:KLQ303 3.7 25.3 1.0
N1 W:DC20 3.8 34.7 1.0
OE2 I:GLU152 3.8 21.6 1.0
C2 W:DC20 3.8 34.7 1.0
O2 W:DC20 4.0 34.7 1.0
C1' W:DC20 4.0 34.7 1.0
CAH I:KLQ303 4.1 25.3 1.0
CB I:PRO145 4.1 18.9 1.0
CAR I:KLQ303 4.1 25.3 1.0
C6 W:DC20 4.3 34.7 1.0
N3 W:DC20 4.4 34.7 1.0
CBA I:KLQ303 4.6 25.3 1.0
FAE I:KLQ303 4.6 25.3 1.0
CA I:GLU152 4.6 21.6 1.0
FAF I:KLQ303 4.7 25.3 1.0
MG I:MG305 4.7 20.9 1.0
C3' W:DC20 4.7 34.7 1.0
C4 W:DC20 4.8 34.7 1.0
C5 W:DC20 4.8 34.7 1.0
CAX I:KLQ303 4.9 25.3 1.0
CG I:PRO145 4.9 18.9 1.0
OAA I:KLQ303 4.9 25.3 1.0
N2 Q:DG5 5.0 43.4 1.0
O I:PRO145 5.0 18.9 1.0

Reference:

P.Cherepanov, N.Nans, N.J.Cook. Structural Basis of Second-Generation Hiv Integrase Inhibitor Action and Viral Resistance Science 2020.
ISSN: ESSN 1095-9203
DOI: 10.1126/SCIENCE.AAY4919
Page generated: Fri Aug 2 01:26:19 2024

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