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:
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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