Fluorine in PDB 7rj2: Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer
Protein crystallography data
The structure of Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer, PDB code: 7rj2
was solved by
S.M.Bester,
M.Kvaratskhelia,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
39.92 /
2.32
|
|
Space group
|
P 6
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
92.183,
92.183,
57.965,
90,
90,
120
|
|
R / Rfree (%)
|
19.9 /
24.6
|
Other elements in 7rj2:
The structure of Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer also contains other interesting chemical elements:
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Binding sites:
The binding sites of Fluorine atom in the Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer
(pdb code 7rj2). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 20 binding sites of Fluorine where determined in the
Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer, PDB code: 7rj2:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 20 in 7rj2
Go back to
Fluorine Binding Sites List in 7rj2
Fluorine binding site 1 out
of 20 in the Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:36.9
occ:0.64
|
F26
|
C:QNG301
|
0.0
|
36.9
|
0.6
|
|
F26
|
C:QNG301
|
0.0
|
37.2
|
0.4
|
|
C24
|
C:QNG301
|
1.4
|
33.8
|
0.6
|
|
C24
|
C:QNG301
|
1.4
|
32.9
|
0.4
|
|
C25
|
C:QNG301
|
2.4
|
33.0
|
0.6
|
|
C23
|
C:QNG301
|
2.4
|
31.3
|
0.6
|
|
C25
|
C:QNG301
|
2.4
|
33.8
|
0.4
|
|
C23
|
C:QNG301
|
2.4
|
30.9
|
0.4
|
|
CD1
|
C:ILE73
|
3.3
|
18.4
|
1.0
|
|
N
|
C:LYS70
|
3.3
|
22.8
|
1.0
|
|
CG
|
C:LYS70
|
3.3
|
26.1
|
1.0
|
|
CG
|
C:LEU69
|
3.5
|
30.3
|
1.0
|
|
CB
|
C:LEU69
|
3.5
|
23.5
|
1.0
|
|
C
|
C:LEU69
|
3.5
|
24.2
|
1.0
|
|
CA
|
C:LYS70
|
3.6
|
34.2
|
1.0
|
|
O
|
C:MET66
|
3.6
|
24.9
|
1.0
|
|
C20
|
C:QNG301
|
3.7
|
37.3
|
0.6
|
|
C22
|
C:QNG301
|
3.7
|
35.4
|
0.6
|
|
C20
|
C:QNG301
|
3.7
|
37.7
|
0.4
|
|
C22
|
C:QNG301
|
3.7
|
33.8
|
0.4
|
|
CD2
|
C:LEU69
|
3.9
|
24.0
|
1.0
|
|
O
|
C:LEU69
|
3.9
|
23.0
|
1.0
|
|
CB
|
C:LYS70
|
4.0
|
32.7
|
1.0
|
|
CD1
|
C:LEU56
|
4.0
|
19.6
|
1.0
|
|
CA
|
C:LEU69
|
4.1
|
27.6
|
1.0
|
|
C21
|
C:QNG301
|
4.2
|
35.7
|
0.6
|
|
C21
|
C:QNG301
|
4.2
|
35.7
|
0.4
|
|
CG1
|
C:ILE73
|
4.5
|
26.1
|
1.0
|
|
CD
|
C:LYS70
|
4.6
|
40.2
|
1.0
|
|
C
|
C:MET66
|
4.8
|
31.1
|
1.0
|
|
F42
|
C:QNG301
|
4.8
|
48.8
|
0.4
|
|
F42
|
C:QNG301
|
4.8
|
49.2
|
0.6
|
|
F27
|
C:QNG301
|
4.8
|
34.1
|
0.6
|
|
F27
|
C:QNG301
|
4.8
|
34.8
|
0.4
|
|
CD1
|
C:LEU69
|
4.8
|
28.9
|
1.0
|
|
C19
|
C:QNG301
|
4.9
|
38.4
|
0.6
|
|
C19
|
C:QNG301
|
5.0
|
38.4
|
0.4
|
|
C11
|
C:QNG301
|
5.0
|
38.2
|
0.6
|
|
Fluorine binding site 2 out
of 20 in 7rj2
Go back to
Fluorine Binding Sites List in 7rj2
Fluorine binding site 2 out
of 20 in the Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:37.2
occ:0.36
|
F26
|
C:QNG301
|
0.0
|
37.2
|
0.4
|
|
F26
|
C:QNG301
|
0.0
|
36.9
|
0.6
|
|
C24
|
C:QNG301
|
1.4
|
33.8
|
0.6
|
|
C24
|
C:QNG301
|
1.4
|
32.9
|
0.4
|
|
C25
|
C:QNG301
|
2.4
|
33.0
|
0.6
|
|
C25
|
C:QNG301
|
2.4
|
33.8
|
0.4
|
|
C23
|
C:QNG301
|
2.4
|
31.3
|
0.6
|
|
C23
|
C:QNG301
|
2.4
|
30.9
|
0.4
|
|
CD1
|
C:ILE73
|
3.3
|
18.4
|
1.0
|
|
CG
|
C:LYS70
|
3.3
|
26.1
|
1.0
|
|
N
|
C:LYS70
|
3.3
|
22.8
|
1.0
|
|
CG
|
C:LEU69
|
3.5
|
30.3
|
1.0
|
|
CB
|
C:LEU69
|
3.5
|
23.5
|
1.0
|
|
C
|
C:LEU69
|
3.5
|
24.2
|
1.0
|
|
CA
|
C:LYS70
|
3.6
|
34.2
|
1.0
|
|
O
|
C:MET66
|
3.6
|
24.9
|
1.0
|
|
C20
|
C:QNG301
|
3.6
|
37.3
|
0.6
|
|
C22
|
C:QNG301
|
3.7
|
35.4
|
0.6
|
|
C20
|
C:QNG301
|
3.7
|
37.7
|
0.4
|
|
C22
|
C:QNG301
|
3.7
|
33.8
|
0.4
|
|
CD2
|
C:LEU69
|
3.9
|
24.0
|
1.0
|
|
O
|
C:LEU69
|
3.9
|
23.0
|
1.0
|
|
CB
|
C:LYS70
|
4.0
|
32.7
|
1.0
|
|
CD1
|
C:LEU56
|
4.1
|
19.6
|
1.0
|
|
CA
|
C:LEU69
|
4.1
|
27.6
|
1.0
|
|
C21
|
C:QNG301
|
4.1
|
35.7
|
0.6
|
|
C21
|
C:QNG301
|
4.2
|
35.7
|
0.4
|
|
CG1
|
C:ILE73
|
4.5
|
26.1
|
1.0
|
|
CD
|
C:LYS70
|
4.6
|
40.2
|
1.0
|
|
F42
|
C:QNG301
|
4.8
|
48.8
|
0.4
|
|
F42
|
C:QNG301
|
4.8
|
49.2
|
0.6
|
|
C
|
C:MET66
|
4.8
|
31.1
|
1.0
|
|
F27
|
C:QNG301
|
4.8
|
34.1
|
0.6
|
|
F27
|
C:QNG301
|
4.8
|
34.8
|
0.4
|
|
CD1
|
C:LEU69
|
4.9
|
28.9
|
1.0
|
|
C19
|
C:QNG301
|
4.9
|
38.4
|
0.6
|
|
C19
|
C:QNG301
|
4.9
|
38.4
|
0.4
|
|
C11
|
C:QNG301
|
5.0
|
38.2
|
0.6
|
|
Fluorine binding site 3 out
of 20 in 7rj2
Go back to
Fluorine Binding Sites List in 7rj2
Fluorine binding site 3 out
of 20 in the Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:34.1
occ:0.64
|
F27
|
C:QNG301
|
0.0
|
34.1
|
0.6
|
|
F27
|
C:QNG301
|
0.0
|
34.8
|
0.4
|
|
C22
|
C:QNG301
|
1.3
|
33.8
|
0.4
|
|
C22
|
C:QNG301
|
1.4
|
35.4
|
0.6
|
|
C21
|
C:QNG301
|
2.4
|
35.7
|
0.4
|
|
C21
|
C:QNG301
|
2.4
|
35.7
|
0.6
|
|
C23
|
C:QNG301
|
2.4
|
30.9
|
0.4
|
|
C23
|
C:QNG301
|
2.4
|
31.3
|
0.6
|
|
O
|
C:HOH429
|
2.7
|
27.6
|
1.0
|
|
F41
|
C:QNG301
|
2.8
|
40.3
|
0.4
|
|
F41
|
C:QNG301
|
2.8
|
40.0
|
0.6
|
|
CE
|
C:MET66
|
3.1
|
27.9
|
1.0
|
|
O
|
C:LEU56
|
3.2
|
21.7
|
1.0
|
|
CB
|
C:MET66
|
3.3
|
22.2
|
1.0
|
|
F42
|
C:QNG301
|
3.4
|
48.8
|
0.4
|
|
F42
|
C:QNG301
|
3.4
|
49.2
|
0.6
|
|
CG
|
C:MET66
|
3.5
|
22.7
|
1.0
|
|
C20
|
C:QNG301
|
3.6
|
37.7
|
0.4
|
|
C38
|
C:QNG301
|
3.6
|
44.4
|
0.4
|
|
C38
|
C:QNG301
|
3.6
|
44.5
|
0.6
|
|
C24
|
C:QNG301
|
3.7
|
32.9
|
0.4
|
|
C20
|
C:QNG301
|
3.7
|
37.3
|
0.6
|
|
C24
|
C:QNG301
|
3.7
|
33.8
|
0.6
|
|
C
|
C:LEU56
|
3.8
|
26.3
|
1.0
|
|
SD
|
C:MET66
|
4.0
|
28.0
|
1.0
|
|
CB
|
C:LEU56
|
4.0
|
25.8
|
1.0
|
|
C25
|
C:QNG301
|
4.1
|
33.8
|
0.4
|
|
C25
|
C:QNG301
|
4.2
|
33.0
|
0.6
|
|
OD1
|
C:ASN57
|
4.3
|
33.5
|
1.0
|
|
CA
|
C:MET66
|
4.4
|
22.4
|
1.0
|
|
CA
|
C:LEU56
|
4.4
|
26.6
|
1.0
|
|
C37
|
C:QNG301
|
4.5
|
44.4
|
0.4
|
|
C37
|
C:QNG301
|
4.5
|
44.5
|
0.6
|
|
N
|
C:ASN57
|
4.5
|
22.4
|
1.0
|
|
CA
|
C:ASN57
|
4.6
|
26.6
|
1.0
|
|
O
|
C:MET66
|
4.7
|
24.9
|
1.0
|
|
F26
|
C:QNG301
|
4.8
|
37.2
|
0.4
|
|
F26
|
C:QNG301
|
4.8
|
36.9
|
0.6
|
|
C
|
C:MET66
|
4.8
|
31.1
|
1.0
|
|
NE2
|
C:GLN63
|
4.9
|
22.7
|
1.0
|
|
C32
|
C:QNG301
|
4.9
|
44.0
|
0.4
|
|
C32
|
C:QNG301
|
4.9
|
44.0
|
0.6
|
|
C19
|
C:QNG301
|
4.9
|
38.4
|
0.4
|
|
C19
|
C:QNG301
|
4.9
|
38.4
|
0.6
|
|
Fluorine binding site 4 out
of 20 in 7rj2
Go back to
Fluorine Binding Sites List in 7rj2
Fluorine binding site 4 out
of 20 in the Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:34.8
occ:0.36
|
F27
|
C:QNG301
|
0.0
|
34.8
|
0.4
|
|
F27
|
C:QNG301
|
0.0
|
34.1
|
0.6
|
|
C22
|
C:QNG301
|
1.4
|
33.8
|
0.4
|
|
C22
|
C:QNG301
|
1.4
|
35.4
|
0.6
|
|
C21
|
C:QNG301
|
2.4
|
35.7
|
0.4
|
|
C23
|
C:QNG301
|
2.4
|
30.9
|
0.4
|
|
C23
|
C:QNG301
|
2.4
|
31.3
|
0.6
|
|
C21
|
C:QNG301
|
2.4
|
35.7
|
0.6
|
|
O
|
C:HOH429
|
2.7
|
27.6
|
1.0
|
|
F41
|
C:QNG301
|
2.8
|
40.3
|
0.4
|
|
F41
|
C:QNG301
|
2.8
|
40.0
|
0.6
|
|
CE
|
C:MET66
|
3.0
|
27.9
|
1.0
|
|
O
|
C:LEU56
|
3.2
|
21.7
|
1.0
|
|
CB
|
C:MET66
|
3.3
|
22.2
|
1.0
|
|
F42
|
C:QNG301
|
3.4
|
48.8
|
0.4
|
|
F42
|
C:QNG301
|
3.4
|
49.2
|
0.6
|
|
CG
|
C:MET66
|
3.4
|
22.7
|
1.0
|
|
C38
|
C:QNG301
|
3.6
|
44.4
|
0.4
|
|
C38
|
C:QNG301
|
3.6
|
44.5
|
0.6
|
|
C20
|
C:QNG301
|
3.7
|
37.7
|
0.4
|
|
C24
|
C:QNG301
|
3.7
|
32.9
|
0.4
|
|
C24
|
C:QNG301
|
3.7
|
33.8
|
0.6
|
|
C20
|
C:QNG301
|
3.7
|
37.3
|
0.6
|
|
C
|
C:LEU56
|
3.8
|
26.3
|
1.0
|
|
SD
|
C:MET66
|
4.0
|
28.0
|
1.0
|
|
CB
|
C:LEU56
|
4.0
|
25.8
|
1.0
|
|
C25
|
C:QNG301
|
4.2
|
33.8
|
0.4
|
|
C25
|
C:QNG301
|
4.2
|
33.0
|
0.6
|
|
OD1
|
C:ASN57
|
4.3
|
33.5
|
1.0
|
|
CA
|
C:MET66
|
4.4
|
22.4
|
1.0
|
|
CA
|
C:LEU56
|
4.4
|
26.6
|
1.0
|
|
C37
|
C:QNG301
|
4.4
|
44.4
|
0.4
|
|
C37
|
C:QNG301
|
4.4
|
44.5
|
0.6
|
|
N
|
C:ASN57
|
4.5
|
22.4
|
1.0
|
|
CA
|
C:ASN57
|
4.6
|
26.6
|
1.0
|
|
O
|
C:MET66
|
4.7
|
24.9
|
1.0
|
|
F26
|
C:QNG301
|
4.8
|
37.2
|
0.4
|
|
F26
|
C:QNG301
|
4.8
|
36.9
|
0.6
|
|
C
|
C:MET66
|
4.8
|
31.1
|
1.0
|
|
NE2
|
C:GLN63
|
4.9
|
22.7
|
1.0
|
|
C32
|
C:QNG301
|
4.9
|
44.0
|
0.4
|
|
C32
|
C:QNG301
|
4.9
|
44.0
|
0.6
|
|
C19
|
C:QNG301
|
4.9
|
38.4
|
0.4
|
|
C19
|
C:QNG301
|
5.0
|
38.4
|
0.6
|
|
OE1
|
C:GLN63
|
5.0
|
33.8
|
1.0
|
|
Fluorine binding site 5 out
of 20 in 7rj2
Go back to
Fluorine Binding Sites List in 7rj2
Fluorine binding site 5 out
of 20 in the Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:40.0
occ:0.64
|
F41
|
C:QNG301
|
0.0
|
40.0
|
0.6
|
|
F41
|
C:QNG301
|
0.0
|
40.3
|
0.4
|
|
C38
|
C:QNG301
|
1.4
|
44.4
|
0.4
|
|
C38
|
C:QNG301
|
1.4
|
44.5
|
0.6
|
|
F42
|
C:QNG301
|
2.2
|
48.8
|
0.4
|
|
F42
|
C:QNG301
|
2.2
|
49.2
|
0.6
|
|
C32
|
C:QNG301
|
2.4
|
44.0
|
0.4
|
|
C32
|
C:QNG301
|
2.4
|
44.0
|
0.6
|
|
C37
|
C:QNG301
|
2.4
|
44.5
|
0.6
|
|
C37
|
C:QNG301
|
2.4
|
44.4
|
0.4
|
|
F27
|
C:QNG301
|
2.8
|
34.8
|
0.4
|
|
F27
|
C:QNG301
|
2.8
|
34.1
|
0.6
|
|
OE1
|
C:GLN63
|
3.1
|
33.8
|
1.0
|
|
N33
|
C:QNG301
|
3.2
|
48.1
|
0.4
|
|
N33
|
C:QNG301
|
3.2
|
48.2
|
0.6
|
|
O
|
C:HOH429
|
3.4
|
27.6
|
1.0
|
|
C31
|
C:QNG301
|
3.4
|
45.2
|
0.4
|
|
C31
|
C:QNG301
|
3.4
|
45.3
|
0.6
|
|
C22
|
C:QNG301
|
3.4
|
33.8
|
0.4
|
|
C22
|
C:QNG301
|
3.4
|
35.4
|
0.6
|
|
C39
|
C:QNG301
|
3.5
|
43.9
|
0.4
|
|
C39
|
C:QNG301
|
3.5
|
43.9
|
0.6
|
|
C30
|
C:QNG301
|
3.5
|
43.5
|
0.4
|
|
C36
|
C:QNG301
|
3.5
|
45.8
|
0.4
|
|
C30
|
C:QNG301
|
3.5
|
43.5
|
0.6
|
|
C36
|
C:QNG301
|
3.5
|
45.8
|
0.6
|
|
C21
|
C:QNG301
|
3.8
|
35.7
|
0.4
|
|
C21
|
C:QNG301
|
3.8
|
35.7
|
0.6
|
|
CD
|
C:GLN63
|
4.0
|
30.9
|
1.0
|
|
CB
|
C:MET66
|
4.0
|
22.2
|
1.0
|
|
C28
|
C:QNG301
|
4.0
|
43.1
|
0.4
|
|
C28
|
C:QNG301
|
4.0
|
43.0
|
0.6
|
|
NE2
|
C:GLN63
|
4.2
|
22.7
|
1.0
|
|
C23
|
C:QNG301
|
4.3
|
30.9
|
0.4
|
|
C23
|
C:QNG301
|
4.3
|
31.3
|
0.6
|
|
O29
|
C:QNG301
|
4.3
|
45.1
|
0.6
|
|
O29
|
C:QNG301
|
4.3
|
45.1
|
0.4
|
|
N34
|
C:QNG301
|
4.4
|
44.9
|
0.4
|
|
N34
|
C:QNG301
|
4.4
|
44.9
|
0.6
|
|
OD1
|
C:ASN57
|
4.5
|
33.5
|
1.0
|
|
C35
|
C:QNG301
|
4.5
|
45.3
|
0.4
|
|
C35
|
C:QNG301
|
4.5
|
45.3
|
0.6
|
|
CG
|
C:MET66
|
4.6
|
22.7
|
1.0
|
|
N43
|
C:QNG301
|
4.7
|
40.0
|
0.4
|
|
N43
|
C:QNG301
|
4.7
|
39.7
|
0.6
|
|
C20
|
C:QNG301
|
4.9
|
37.7
|
0.4
|
|
C20
|
C:QNG301
|
4.9
|
37.3
|
0.6
|
|
Fluorine binding site 6 out
of 20 in 7rj2
Go back to
Fluorine Binding Sites List in 7rj2
Fluorine binding site 6 out
of 20 in the Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:40.3
occ:0.36
|
F41
|
C:QNG301
|
0.0
|
40.3
|
0.4
|
|
F41
|
C:QNG301
|
0.0
|
40.0
|
0.6
|
|
C38
|
C:QNG301
|
1.4
|
44.4
|
0.4
|
|
C38
|
C:QNG301
|
1.4
|
44.5
|
0.6
|
|
F42
|
C:QNG301
|
2.2
|
48.8
|
0.4
|
|
F42
|
C:QNG301
|
2.2
|
49.2
|
0.6
|
|
C37
|
C:QNG301
|
2.4
|
44.5
|
0.6
|
|
C37
|
C:QNG301
|
2.4
|
44.4
|
0.4
|
|
C32
|
C:QNG301
|
2.4
|
44.0
|
0.4
|
|
C32
|
C:QNG301
|
2.4
|
44.0
|
0.6
|
|
F27
|
C:QNG301
|
2.8
|
34.8
|
0.4
|
|
F27
|
C:QNG301
|
2.8
|
34.1
|
0.6
|
|
OE1
|
C:GLN63
|
3.0
|
33.8
|
1.0
|
|
N33
|
C:QNG301
|
3.2
|
48.1
|
0.4
|
|
N33
|
C:QNG301
|
3.2
|
48.2
|
0.6
|
|
O
|
C:HOH429
|
3.3
|
27.6
|
1.0
|
|
C22
|
C:QNG301
|
3.4
|
33.8
|
0.4
|
|
C31
|
C:QNG301
|
3.4
|
45.2
|
0.4
|
|
C31
|
C:QNG301
|
3.4
|
45.3
|
0.6
|
|
C22
|
C:QNG301
|
3.4
|
35.4
|
0.6
|
|
C39
|
C:QNG301
|
3.5
|
43.9
|
0.4
|
|
C39
|
C:QNG301
|
3.5
|
43.9
|
0.6
|
|
C36
|
C:QNG301
|
3.5
|
45.8
|
0.4
|
|
C36
|
C:QNG301
|
3.5
|
45.8
|
0.6
|
|
C30
|
C:QNG301
|
3.5
|
43.5
|
0.4
|
|
C30
|
C:QNG301
|
3.5
|
43.5
|
0.6
|
|
C21
|
C:QNG301
|
3.8
|
35.7
|
0.4
|
|
C21
|
C:QNG301
|
3.8
|
35.7
|
0.6
|
|
CD
|
C:GLN63
|
3.9
|
30.9
|
1.0
|
|
CB
|
C:MET66
|
3.9
|
22.2
|
1.0
|
|
C28
|
C:QNG301
|
4.0
|
43.1
|
0.4
|
|
C28
|
C:QNG301
|
4.0
|
43.0
|
0.6
|
|
NE2
|
C:GLN63
|
4.2
|
22.7
|
1.0
|
|
C23
|
C:QNG301
|
4.3
|
30.9
|
0.4
|
|
C23
|
C:QNG301
|
4.3
|
31.3
|
0.6
|
|
O29
|
C:QNG301
|
4.4
|
45.1
|
0.6
|
|
O29
|
C:QNG301
|
4.4
|
45.1
|
0.4
|
|
N34
|
C:QNG301
|
4.4
|
44.9
|
0.4
|
|
N34
|
C:QNG301
|
4.4
|
44.9
|
0.6
|
|
OD1
|
C:ASN57
|
4.5
|
33.5
|
1.0
|
|
C35
|
C:QNG301
|
4.5
|
45.3
|
0.4
|
|
C35
|
C:QNG301
|
4.5
|
45.3
|
0.6
|
|
CG
|
C:MET66
|
4.6
|
22.7
|
1.0
|
|
N43
|
C:QNG301
|
4.8
|
40.0
|
0.4
|
|
N43
|
C:QNG301
|
4.8
|
39.7
|
0.6
|
|
C20
|
C:QNG301
|
4.9
|
37.7
|
0.4
|
|
C20
|
C:QNG301
|
4.9
|
37.3
|
0.6
|
|
Fluorine binding site 7 out
of 20 in 7rj2
Go back to
Fluorine Binding Sites List in 7rj2
Fluorine binding site 7 out
of 20 in the Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:49.2
occ:0.64
|
F42
|
C:QNG301
|
0.0
|
49.2
|
0.6
|
|
F42
|
C:QNG301
|
0.0
|
48.8
|
0.4
|
|
C38
|
C:QNG301
|
1.4
|
44.4
|
0.4
|
|
C38
|
C:QNG301
|
1.4
|
44.5
|
0.6
|
|
F41
|
C:QNG301
|
2.2
|
40.0
|
0.6
|
|
F41
|
C:QNG301
|
2.2
|
40.3
|
0.4
|
|
C37
|
C:QNG301
|
2.3
|
44.5
|
0.6
|
|
C37
|
C:QNG301
|
2.3
|
44.4
|
0.4
|
|
C32
|
C:QNG301
|
2.4
|
44.0
|
0.4
|
|
C32
|
C:QNG301
|
2.4
|
44.0
|
0.6
|
|
CD
|
C:LYS70
|
3.0
|
40.2
|
1.0
|
|
C22
|
C:QNG301
|
3.1
|
33.8
|
0.4
|
|
C22
|
C:QNG301
|
3.1
|
35.4
|
0.6
|
|
O29
|
C:QNG301
|
3.2
|
45.1
|
0.6
|
|
C36
|
C:QNG301
|
3.3
|
45.8
|
0.4
|
|
C36
|
C:QNG301
|
3.3
|
45.8
|
0.6
|
|
O29
|
C:QNG301
|
3.3
|
45.1
|
0.4
|
|
C31
|
C:QNG301
|
3.3
|
45.2
|
0.4
|
|
C31
|
C:QNG301
|
3.3
|
45.3
|
0.6
|
|
C23
|
C:QNG301
|
3.4
|
30.9
|
0.4
|
|
N33
|
C:QNG301
|
3.4
|
48.1
|
0.4
|
|
F27
|
C:QNG301
|
3.4
|
34.8
|
0.4
|
|
F27
|
C:QNG301
|
3.4
|
34.1
|
0.6
|
|
C23
|
C:QNG301
|
3.4
|
31.3
|
0.6
|
|
N33
|
C:QNG301
|
3.4
|
48.2
|
0.6
|
|
C21
|
C:QNG301
|
3.4
|
35.7
|
0.6
|
|
C21
|
C:QNG301
|
3.4
|
35.7
|
0.4
|
|
C28
|
C:QNG301
|
3.5
|
43.1
|
0.4
|
|
C28
|
C:QNG301
|
3.5
|
43.0
|
0.6
|
|
CG
|
C:LYS70
|
3.6
|
26.1
|
1.0
|
|
CE
|
C:LYS70
|
3.7
|
56.6
|
1.0
|
|
C30
|
C:QNG301
|
3.8
|
43.5
|
0.4
|
|
C30
|
C:QNG301
|
3.8
|
43.5
|
0.6
|
|
C39
|
C:QNG301
|
3.9
|
43.9
|
0.6
|
|
C39
|
C:QNG301
|
3.9
|
43.9
|
0.4
|
|
C24
|
C:QNG301
|
3.9
|
32.9
|
0.4
|
|
C24
|
C:QNG301
|
3.9
|
33.8
|
0.6
|
|
NZ
|
C:LYS70
|
3.9
|
50.1
|
1.0
|
|
C20
|
C:QNG301
|
4.0
|
37.7
|
0.4
|
|
C20
|
C:QNG301
|
4.0
|
37.3
|
0.6
|
|
O
|
C:MET66
|
4.0
|
24.9
|
1.0
|
|
C25
|
C:QNG301
|
4.2
|
33.8
|
0.4
|
|
C25
|
C:QNG301
|
4.2
|
33.0
|
0.6
|
|
CB
|
C:MET66
|
4.3
|
22.2
|
1.0
|
|
N43
|
C:QNG301
|
4.3
|
39.7
|
0.6
|
|
N43
|
C:QNG301
|
4.3
|
40.0
|
0.4
|
|
C
|
C:MET66
|
4.3
|
31.1
|
1.0
|
|
C35
|
C:QNG301
|
4.4
|
45.3
|
0.4
|
|
C35
|
C:QNG301
|
4.4
|
45.3
|
0.6
|
|
N34
|
C:QNG301
|
4.5
|
44.9
|
0.4
|
|
N34
|
C:QNG301
|
4.5
|
44.9
|
0.6
|
|
F26
|
C:QNG301
|
4.8
|
37.2
|
0.4
|
|
N
|
C:HIS67
|
4.8
|
18.7
|
1.0
|
|
F26
|
C:QNG301
|
4.8
|
36.9
|
0.6
|
|
C01
|
C:QNG301
|
4.8
|
38.2
|
0.6
|
|
C01
|
C:QNG301
|
4.8
|
38.2
|
0.4
|
|
OE1
|
C:GLN63
|
4.9
|
33.8
|
1.0
|
|
CA
|
C:MET66
|
4.9
|
22.4
|
1.0
|
|
CA
|
C:HIS67
|
4.9
|
27.8
|
1.0
|
|
Fluorine binding site 8 out
of 20 in 7rj2
Go back to
Fluorine Binding Sites List in 7rj2
Fluorine binding site 8 out
of 20 in the Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:48.8
occ:0.36
|
F42
|
C:QNG301
|
0.0
|
48.8
|
0.4
|
|
F42
|
C:QNG301
|
0.0
|
49.2
|
0.6
|
|
C38
|
C:QNG301
|
1.4
|
44.4
|
0.4
|
|
C38
|
C:QNG301
|
1.4
|
44.5
|
0.6
|
|
F41
|
C:QNG301
|
2.2
|
40.0
|
0.6
|
|
F41
|
C:QNG301
|
2.2
|
40.3
|
0.4
|
|
C37
|
C:QNG301
|
2.3
|
44.5
|
0.6
|
|
C37
|
C:QNG301
|
2.3
|
44.4
|
0.4
|
|
C32
|
C:QNG301
|
2.4
|
44.0
|
0.4
|
|
C32
|
C:QNG301
|
2.4
|
44.0
|
0.6
|
|
CD
|
C:LYS70
|
3.0
|
40.2
|
1.0
|
|
C22
|
C:QNG301
|
3.1
|
33.8
|
0.4
|
|
C22
|
C:QNG301
|
3.1
|
35.4
|
0.6
|
|
O29
|
C:QNG301
|
3.2
|
45.1
|
0.6
|
|
O29
|
C:QNG301
|
3.3
|
45.1
|
0.4
|
|
C36
|
C:QNG301
|
3.3
|
45.8
|
0.4
|
|
C36
|
C:QNG301
|
3.3
|
45.8
|
0.6
|
|
C31
|
C:QNG301
|
3.3
|
45.2
|
0.4
|
|
C31
|
C:QNG301
|
3.3
|
45.3
|
0.6
|
|
C23
|
C:QNG301
|
3.4
|
30.9
|
0.4
|
|
F27
|
C:QNG301
|
3.4
|
34.8
|
0.4
|
|
F27
|
C:QNG301
|
3.4
|
34.1
|
0.6
|
|
N33
|
C:QNG301
|
3.4
|
48.1
|
0.4
|
|
C23
|
C:QNG301
|
3.4
|
31.3
|
0.6
|
|
N33
|
C:QNG301
|
3.4
|
48.2
|
0.6
|
|
C21
|
C:QNG301
|
3.4
|
35.7
|
0.6
|
|
C21
|
C:QNG301
|
3.4
|
35.7
|
0.4
|
|
C28
|
C:QNG301
|
3.5
|
43.1
|
0.4
|
|
C28
|
C:QNG301
|
3.5
|
43.0
|
0.6
|
|
CG
|
C:LYS70
|
3.6
|
26.1
|
1.0
|
|
CE
|
C:LYS70
|
3.7
|
56.6
|
1.0
|
|
C30
|
C:QNG301
|
3.8
|
43.5
|
0.4
|
|
C30
|
C:QNG301
|
3.8
|
43.5
|
0.6
|
|
C39
|
C:QNG301
|
3.9
|
43.9
|
0.6
|
|
C39
|
C:QNG301
|
3.9
|
43.9
|
0.4
|
|
C24
|
C:QNG301
|
3.9
|
32.9
|
0.4
|
|
C24
|
C:QNG301
|
3.9
|
33.8
|
0.6
|
|
NZ
|
C:LYS70
|
3.9
|
50.1
|
1.0
|
|
C20
|
C:QNG301
|
4.0
|
37.7
|
0.4
|
|
C20
|
C:QNG301
|
4.0
|
37.3
|
0.6
|
|
O
|
C:MET66
|
4.0
|
24.9
|
1.0
|
|
C25
|
C:QNG301
|
4.2
|
33.8
|
0.4
|
|
C25
|
C:QNG301
|
4.2
|
33.0
|
0.6
|
|
CB
|
C:MET66
|
4.3
|
22.2
|
1.0
|
|
N43
|
C:QNG301
|
4.3
|
39.7
|
0.6
|
|
N43
|
C:QNG301
|
4.3
|
40.0
|
0.4
|
|
C
|
C:MET66
|
4.3
|
31.1
|
1.0
|
|
C35
|
C:QNG301
|
4.5
|
45.3
|
0.4
|
|
C35
|
C:QNG301
|
4.5
|
45.3
|
0.6
|
|
N34
|
C:QNG301
|
4.5
|
44.9
|
0.4
|
|
N34
|
C:QNG301
|
4.5
|
44.9
|
0.6
|
|
F26
|
C:QNG301
|
4.8
|
37.2
|
0.4
|
|
F26
|
C:QNG301
|
4.8
|
36.9
|
0.6
|
|
N
|
C:HIS67
|
4.8
|
18.7
|
1.0
|
|
C01
|
C:QNG301
|
4.8
|
38.2
|
0.6
|
|
C01
|
C:QNG301
|
4.8
|
38.2
|
0.4
|
|
OE1
|
C:GLN63
|
4.9
|
33.8
|
1.0
|
|
CA
|
C:MET66
|
4.9
|
22.4
|
1.0
|
|
CA
|
C:HIS67
|
4.9
|
27.8
|
1.0
|
|
C19
|
C:QNG301
|
5.0
|
38.4
|
0.6
|
|
C19
|
C:QNG301
|
5.0
|
38.4
|
0.4
|
|
Fluorine binding site 9 out
of 20 in 7rj2
Go back to
Fluorine Binding Sites List in 7rj2
Fluorine binding site 9 out
of 20 in the Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:49.4
occ:0.64
|
F52
|
C:QNG301
|
0.0
|
49.4
|
0.6
|
|
F52
|
C:QNG301
|
0.0
|
49.5
|
0.4
|
|
C40
|
C:QNG301
|
1.4
|
41.5
|
0.4
|
|
C40
|
C:QNG301
|
1.4
|
41.4
|
0.6
|
|
F64
|
C:QNG301
|
2.2
|
44.1
|
0.6
|
|
F64
|
C:QNG301
|
2.2
|
44.2
|
0.4
|
|
F53
|
C:QNG301
|
2.2
|
48.0
|
0.4
|
|
F53
|
C:QNG301
|
2.2
|
48.1
|
0.6
|
|
C35
|
C:QNG301
|
2.3
|
45.3
|
0.4
|
|
C35
|
C:QNG301
|
2.3
|
45.3
|
0.6
|
|
C31
|
C:QNG301
|
3.1
|
45.3
|
0.6
|
|
C31
|
C:QNG301
|
3.1
|
45.2
|
0.4
|
|
N34
|
C:QNG301
|
3.4
|
44.9
|
0.4
|
|
N34
|
C:QNG301
|
3.4
|
44.9
|
0.6
|
|
C36
|
C:QNG301
|
3.8
|
45.8
|
0.6
|
|
C36
|
C:QNG301
|
3.8
|
45.8
|
0.4
|
|
NZ
|
C:LYS70
|
3.9
|
50.1
|
1.0
|
|
C32
|
C:QNG301
|
4.3
|
44.0
|
0.6
|
|
C32
|
C:QNG301
|
4.3
|
44.0
|
0.4
|
|
N33
|
C:QNG301
|
4.4
|
48.1
|
0.4
|
|
N33
|
C:QNG301
|
4.4
|
48.2
|
0.6
|
|
Fluorine binding site 10 out
of 20 in 7rj2
Go back to
Fluorine Binding Sites List in 7rj2
Fluorine binding site 10 out
of 20 in the Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Co-Crystal Structure of Lenacapavir Bound to Q67H/N74D Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:49.5
occ:0.36
|
F52
|
C:QNG301
|
0.0
|
49.5
|
0.4
|
|
F52
|
C:QNG301
|
0.0
|
49.4
|
0.6
|
|
C40
|
C:QNG301
|
1.4
|
41.5
|
0.4
|
|
C40
|
C:QNG301
|
1.4
|
41.4
|
0.6
|
|
F64
|
C:QNG301
|
2.2
|
44.1
|
0.6
|
|
F64
|
C:QNG301
|
2.2
|
44.2
|
0.4
|
|
F53
|
C:QNG301
|
2.2
|
48.0
|
0.4
|
|
F53
|
C:QNG301
|
2.2
|
48.1
|
0.6
|
|
C35
|
C:QNG301
|
2.4
|
45.3
|
0.4
|
|
C35
|
C:QNG301
|
2.4
|
45.3
|
0.6
|
|
C31
|
C:QNG301
|
3.1
|
45.3
|
0.6
|
|
C31
|
C:QNG301
|
3.1
|
45.2
|
0.4
|
|
N34
|
C:QNG301
|
3.4
|
44.9
|
0.4
|
|
N34
|
C:QNG301
|
3.4
|
44.9
|
0.6
|
|
C36
|
C:QNG301
|
3.8
|
45.8
|
0.6
|
|
C36
|
C:QNG301
|
3.8
|
45.8
|
0.4
|
|
NZ
|
C:LYS70
|
3.9
|
50.1
|
1.0
|
|
C32
|
C:QNG301
|
4.3
|
44.0
|
0.6
|
|
C32
|
C:QNG301
|
4.3
|
44.0
|
0.4
|
|
N33
|
C:QNG301
|
4.4
|
48.1
|
0.4
|
|
N33
|
C:QNG301
|
4.4
|
48.2
|
0.6
|
|
Reference:
S.M.Bester,
D.Adu-Ampratwum,
A.S.Annamalai,
G.Wei,
L.Briganti,
B.C.Murphy,
R.Haney,
J.R.Fuchs,
M.Kvaratskhelia.
Structural and Mechanistic Bases of Viral Resistance to Hiv-1 Capsid Inhibitor Lenacapavir. Mbio V. 13 80422 2022.
ISSN: ESSN 2150-7511
PubMed: 36190128
DOI: 10.1128/MBIO.01804-22
Page generated: Fri Aug 2 12:08:04 2024
|
