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: Sun Dec 13 13:10:46 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy