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Fluorine in PDB 6rwm: Sivrcm Intasome in Complex with Bictegravir

Other elements in 6rwm:

The structure of Sivrcm Intasome 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 in Complex with Bictegravir (pdb code 6rwm). 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 in Complex with Bictegravir, PDB code: 6rwm:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 6rwm

Go back to Fluorine Binding Sites List in 6rwm
Fluorine binding site 1 out of 6 in the Sivrcm Intasome 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 in Complex with Bictegravir within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F304

b:13.6
occ:1.00
 FAE A:KLQ304 0.0 13.6 1.0
CAT A:KLQ304 1.3 13.6 1.0
CAI A:KLQ304 2.3 13.6 1.0
CAH A:KLQ304 2.3 13.6 1.0
C6 S:DG5 3.1 26.4 1.0
N1 S:DG5 3.2 26.4 1.0
NE2 A:GLN146 3.2 26.4 1.0
CD A:GLN146 3.2 26.4 1.0
CG A:GLN146 3.3 26.4 1.0
C5 S:DG5 3.4 26.4 1.0
O6 S:DG5 3.5 26.4 1.0
CAV A:KLQ304 3.6 13.6 1.0
CAU A:KLQ304 3.6 13.6 1.0
C2 S:DG5 3.6 26.4 1.0
C4 S:DG5 3.8 26.4 1.0
OE1 A:GLN146 3.8 26.4 1.0
N3 S:DG5 4.0 26.4 1.0
CAY A:KLQ304 4.2 13.6 1.0
N7 S:DG5 4.2 26.4 1.0
N A:GLN146 4.3 26.4 1.0
CA A:GLN146 4.3 26.4 1.0
N3 T:DC20 4.3 26.4 1.0
N2 S:DG5 4.3 26.4 1.0
CB A:GLN146 4.3 26.4 1.0
N4 T:DC20 4.4 26.4 1.0
C A:PRO145 4.5 17.8 1.0
O A:PRO145 4.6 17.8 1.0
C4 T:DC20 4.6 26.4 1.0
FAF A:KLQ304 4.6 13.6 1.0
FAG A:KLQ304 4.6 13.6 1.0
O A:HOH407 4.6 19.9 1.0
N9 S:DG5 4.7 26.4 1.0
CB A:PRO145 4.7 17.8 1.0
C8 S:DG5 4.8 26.4 1.0

Fluorine binding site 2 out of 6 in 6rwm

Go back to Fluorine Binding Sites List in 6rwm
Fluorine binding site 2 out of 6 in the Sivrcm Intasome 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 in Complex with Bictegravir within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F304

b:13.6
occ:1.00
 FAF A:KLQ304 0.0 13.6 1.0
CAU A:KLQ304 1.3 13.6 1.0
CAH A:KLQ304 2.3 13.6 1.0
CAY A:KLQ304 2.3 13.6 1.0
CAK A:KLQ304 2.9 13.6 1.0
CAV A:KLQ304 3.5 13.6 1.0
CAT A:KLQ304 3.5 13.6 1.0
OAA A:KLQ304 3.8 13.6 1.0
NAP A:KLQ304 3.9 13.6 1.0
CAI A:KLQ304 4.1 13.6 1.0
CAR A:KLQ304 4.3 13.6 1.0
C5 T:DC20 4.5 26.4 1.0
N4 T:DC20 4.6 26.4 1.0
C4 T:DC20 4.6 26.4 1.0
O T:HOH105 4.6 21.7 1.0
FAE A:KLQ304 4.6 13.6 1.0
FAG A:KLQ304 4.7 13.6 1.0
CG A:PRO145 5.0 17.8 1.0

Fluorine binding site 3 out of 6 in 6rwm

Go back to Fluorine Binding Sites List in 6rwm
Fluorine binding site 3 out of 6 in the Sivrcm Intasome 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 in Complex with Bictegravir within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F304

b:13.6
occ:1.00
 FAG A:KLQ304 0.0 13.6 1.0
CAV A:KLQ304 1.3 13.6 1.0
CAI A:KLQ304 2.3 13.6 1.0
CAY A:KLQ304 2.3 13.6 1.0
CAK A:KLQ304 2.9 13.6 1.0
NAP A:KLQ304 2.9 13.6 1.0
CB A:GLU152 3.3 18.1 1.0
CD A:GLU152 3.3 18.1 1.0
CG A:GLU152 3.3 18.1 1.0
C2' T:DC20 3.3 26.4 1.0
OE1 A:GLU152 3.5 18.1 1.0
CAT A:KLQ304 3.5 13.6 1.0
CAU A:KLQ304 3.5 13.6 1.0
OAC A:KLQ304 3.7 13.6 1.0
C2 T:DC20 3.7 26.4 1.0
N1 T:DC20 3.8 26.4 1.0
OE2 A:GLU152 3.8 18.1 1.0
O2 T:DC20 3.9 26.4 1.0
C1' T:DC20 4.0 26.4 1.0
CB A:PRO145 4.0 17.8 1.0
CAH A:KLQ304 4.1 13.6 1.0
CAR A:KLQ304 4.1 13.6 1.0
N3 T:DC20 4.3 26.4 1.0
C6 T:DC20 4.3 26.4 1.0
CBA A:KLQ304 4.6 13.6 1.0
FAE A:KLQ304 4.6 13.6 1.0
CA A:GLU152 4.6 18.1 1.0
FAF A:KLQ304 4.7 13.6 1.0
C3' T:DC20 4.7 26.4 1.0
C4 T:DC20 4.7 26.4 1.0
MG A:MG303 4.8 11.5 1.0
C5 T:DC20 4.8 26.4 1.0
CAX A:KLQ304 4.8 13.6 1.0
O A:PRO145 4.8 17.8 1.0
OAA A:KLQ304 4.9 13.6 1.0
CG A:PRO145 4.9 17.8 1.0
N2 S:DG5 4.9 26.4 1.0

Fluorine binding site 4 out of 6 in 6rwm

Go back to Fluorine Binding Sites List in 6rwm
Fluorine binding site 4 out of 6 in the Sivrcm Intasome 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 in Complex with Bictegravir within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F304

b:13.7
occ:1.00
 FAE I:KLQ304 0.0 13.7 1.0
CAT I:KLQ304 1.3 13.7 1.0
CAI I:KLQ304 2.3 13.7 1.0
CAH I:KLQ304 2.3 13.7 1.0
C6 Q:DG5 3.1 26.4 1.0
N1 Q:DG5 3.2 26.4 1.0
NE2 I:GLN146 3.2 26.4 1.0
CD I:GLN146 3.2 26.4 1.0
CG I:GLN146 3.3 26.4 1.0
O6 Q:DG5 3.5 26.4 1.0
C5 Q:DG5 3.5 26.4 1.0
CAV I:KLQ304 3.6 13.7 1.0
CAU I:KLQ304 3.6 13.7 1.0
C2 Q:DG5 3.6 26.4 1.0
OE1 I:GLN146 3.8 26.4 1.0
C4 Q:DG5 3.8 26.4 1.0
N3 Q:DG5 4.0 26.4 1.0
CAY I:KLQ304 4.2 13.7 1.0
N7 Q:DG5 4.2 26.4 1.0
N I:GLN146 4.3 26.4 1.0
N3 W:DC20 4.3 26.4 1.0
CA I:GLN146 4.3 26.4 1.0
N4 W:DC20 4.3 26.4 1.0
N2 Q:DG5 4.4 26.4 1.0
CB I:GLN146 4.4 26.4 1.0
C I:PRO145 4.5 17.6 1.0
C4 W:DC20 4.6 26.4 1.0
O I:PRO145 4.6 17.6 1.0
FAF I:KLQ304 4.6 13.7 1.0
FAG I:KLQ304 4.6 13.7 1.0
O I:HOH406 4.6 20.1 1.0
N9 Q:DG5 4.7 26.4 1.0
CB I:PRO145 4.7 17.6 1.0
C8 Q:DG5 4.8 26.4 1.0

Fluorine binding site 5 out of 6 in 6rwm

Go back to Fluorine Binding Sites List in 6rwm
Fluorine binding site 5 out of 6 in the Sivrcm Intasome 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 in Complex with Bictegravir within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F304

b:13.7
occ:1.00
 FAF I:KLQ304 0.0 13.7 1.0
CAU I:KLQ304 1.3 13.7 1.0
CAH I:KLQ304 2.3 13.7 1.0
CAY I:KLQ304 2.3 13.7 1.0
CAK I:KLQ304 2.9 13.7 1.0
CAV I:KLQ304 3.5 13.7 1.0
CAT I:KLQ304 3.5 13.7 1.0
OAA I:KLQ304 3.8 13.7 1.0
NAP I:KLQ304 3.9 13.7 1.0
CAI I:KLQ304 4.1 13.7 1.0
CAR I:KLQ304 4.3 13.7 1.0
C5 W:DC20 4.5 26.4 1.0
N4 W:DC20 4.6 26.4 1.0
C4 W:DC20 4.6 26.4 1.0
FAE I:KLQ304 4.6 13.7 1.0
FAG I:KLQ304 4.7 13.7 1.0
O W:HOH106 4.7 21.1 1.0
CG I:PRO145 5.0 17.6 1.0

Fluorine binding site 6 out of 6 in 6rwm

Go back to Fluorine Binding Sites List in 6rwm
Fluorine binding site 6 out of 6 in the Sivrcm Intasome 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 in Complex with Bictegravir within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F304

b:13.7
occ:1.00
 FAG I:KLQ304 0.0 13.7 1.0
CAV I:KLQ304 1.3 13.7 1.0
CAI I:KLQ304 2.3 13.7 1.0
CAY I:KLQ304 2.3 13.7 1.0
CAK I:KLQ304 2.9 13.7 1.0
NAP I:KLQ304 2.9 13.7 1.0
CB I:GLU152 3.3 17.8 1.0
CD I:GLU152 3.3 17.8 1.0
CG I:GLU152 3.3 17.8 1.0
C2' W:DC20 3.3 26.4 1.0
OE1 I:GLU152 3.5 17.8 1.0
CAT I:KLQ304 3.5 13.7 1.0
CAU I:KLQ304 3.5 13.7 1.0
OAC I:KLQ304 3.7 13.7 1.0
C2 W:DC20 3.8 26.4 1.0
N1 W:DC20 3.8 26.4 1.0
OE2 I:GLU152 3.8 17.8 1.0
O2 W:DC20 3.9 26.4 1.0
C1' W:DC20 4.0 26.4 1.0
CB I:PRO145 4.0 17.6 1.0
CAH I:KLQ304 4.1 13.7 1.0
CAR I:KLQ304 4.1 13.7 1.0
N3 W:DC20 4.3 26.4 1.0
C6 W:DC20 4.3 26.4 1.0
CBA I:KLQ304 4.6 13.7 1.0
FAE I:KLQ304 4.6 13.7 1.0
CA I:GLU152 4.7 17.8 1.0
FAF I:KLQ304 4.7 13.7 1.0
C3' W:DC20 4.7 26.4 1.0
C4 W:DC20 4.7 26.4 1.0
C5 W:DC20 4.8 26.4 1.0
MG I:MG303 4.8 11.7 1.0
O I:PRO145 4.8 17.6 1.0
CAX I:KLQ304 4.8 13.7 1.0
OAA I:KLQ304 4.9 13.7 1.0
CG I:PRO145 4.9 17.6 1.0
N2 Q:DG5 4.9 26.4 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 01:26:18 2024

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