Fluorine in PDB 7rhn: Co-Crystal Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir
Protein crystallography data
The structure of Co-Crystal Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir, PDB code: 7rhn
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)
|
45.48 /
2.46
|
|
Space group
|
P 6
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
89.73,
89.73,
56.092,
90,
90,
120
|
|
R / Rfree (%)
|
24.2 /
28.8
|
Other elements in 7rhn:
The structure of Co-Crystal Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir 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 Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir
(pdb code 7rhn). 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 Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir, PDB code: 7rhn:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 20 in 7rhn
Go back to
Fluorine Binding Sites List in 7rhn
Fluorine binding site 1 out
of 20 in the Co-Crystal Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir
 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 Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:55.9
occ:0.72
|
F26
|
C:QNG301
|
0.0
|
55.9
|
0.7
|
|
F26
|
C:QNG301
|
0.0
|
55.4
|
0.3
|
|
C24
|
C:QNG301
|
1.4
|
50.4
|
0.7
|
|
C24
|
C:QNG301
|
1.4
|
50.4
|
0.3
|
|
C25
|
C:QNG301
|
2.4
|
50.4
|
0.7
|
|
C23
|
C:QNG301
|
2.4
|
46.5
|
0.7
|
|
C25
|
C:QNG301
|
2.4
|
50.5
|
0.3
|
|
C23
|
C:QNG301
|
2.4
|
46.5
|
0.3
|
|
N
|
C:LYS70
|
3.1
|
37.4
|
1.0
|
|
CG
|
C:LYS70
|
3.2
|
46.7
|
1.0
|
|
CD1
|
C:ILE73
|
3.2
|
35.8
|
1.0
|
|
CA
|
C:LYS70
|
3.3
|
38.1
|
1.0
|
|
C
|
C:LEU69
|
3.4
|
37.5
|
1.0
|
|
CG
|
C:LEU69
|
3.5
|
45.1
|
1.0
|
|
CB
|
C:LEU69
|
3.5
|
38.5
|
1.0
|
|
O
|
C:MET66
|
3.6
|
45.2
|
1.0
|
|
C20
|
C:QNG301
|
3.7
|
52.8
|
0.7
|
|
C22
|
C:QNG301
|
3.7
|
47.0
|
0.7
|
|
C20
|
C:QNG301
|
3.7
|
52.6
|
0.3
|
|
C22
|
C:QNG301
|
3.7
|
47.4
|
0.3
|
|
CB
|
C:LYS70
|
3.7
|
42.8
|
1.0
|
|
O
|
C:LEU69
|
3.8
|
37.7
|
1.0
|
|
CD2
|
C:LEU69
|
4.0
|
36.7
|
1.0
|
|
CA
|
C:LEU69
|
4.0
|
35.8
|
1.0
|
|
C21
|
C:QNG301
|
4.2
|
51.4
|
0.7
|
|
C21
|
C:QNG301
|
4.2
|
51.4
|
0.3
|
|
CD1
|
C:LEU56
|
4.3
|
36.4
|
1.0
|
|
CG1
|
C:ILE73
|
4.4
|
33.0
|
1.0
|
|
CD
|
C:LYS70
|
4.5
|
53.7
|
1.0
|
|
F42
|
C:QNG301
|
4.6
|
55.4
|
0.3
|
|
F42
|
C:QNG301
|
4.6
|
57.4
|
0.7
|
|
C11
|
C:QNG301
|
4.7
|
57.2
|
0.3
|
|
C11
|
C:QNG301
|
4.7
|
57.3
|
0.7
|
|
C
|
C:LYS70
|
4.7
|
38.4
|
1.0
|
|
C
|
C:MET66
|
4.7
|
41.0
|
1.0
|
|
CD1
|
C:LEU69
|
4.8
|
35.9
|
1.0
|
|
F27
|
C:QNG301
|
4.8
|
51.6
|
0.7
|
|
F27
|
C:QNG301
|
4.8
|
51.4
|
0.3
|
|
CB
|
C:ILE73
|
4.8
|
38.5
|
1.0
|
|
N
|
C:LEU69
|
4.9
|
34.9
|
1.0
|
|
C19
|
C:QNG301
|
5.0
|
50.8
|
0.7
|
|
C19
|
C:QNG301
|
5.0
|
50.8
|
0.3
|
|
C10
|
C:QNG301
|
5.0
|
61.4
|
0.7
|
|
Fluorine binding site 2 out
of 20 in 7rhn
Go back to
Fluorine Binding Sites List in 7rhn
Fluorine binding site 2 out
of 20 in the Co-Crystal Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir
 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 Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:55.4
occ:0.28
|
F26
|
C:QNG301
|
0.0
|
55.4
|
0.3
|
|
F26
|
C:QNG301
|
0.0
|
55.9
|
0.7
|
|
C24
|
C:QNG301
|
1.4
|
50.4
|
0.7
|
|
C24
|
C:QNG301
|
1.4
|
50.4
|
0.3
|
|
C23
|
C:QNG301
|
2.4
|
46.5
|
0.7
|
|
C25
|
C:QNG301
|
2.4
|
50.4
|
0.7
|
|
C23
|
C:QNG301
|
2.4
|
46.5
|
0.3
|
|
C25
|
C:QNG301
|
2.4
|
50.5
|
0.3
|
|
N
|
C:LYS70
|
3.1
|
37.4
|
1.0
|
|
CG
|
C:LYS70
|
3.2
|
46.7
|
1.0
|
|
CD1
|
C:ILE73
|
3.2
|
35.8
|
1.0
|
|
CA
|
C:LYS70
|
3.3
|
38.1
|
1.0
|
|
C
|
C:LEU69
|
3.4
|
37.5
|
1.0
|
|
CG
|
C:LEU69
|
3.5
|
45.1
|
1.0
|
|
CB
|
C:LEU69
|
3.5
|
38.5
|
1.0
|
|
O
|
C:MET66
|
3.6
|
45.2
|
1.0
|
|
C22
|
C:QNG301
|
3.7
|
47.0
|
0.7
|
|
C20
|
C:QNG301
|
3.7
|
52.8
|
0.7
|
|
C22
|
C:QNG301
|
3.7
|
47.4
|
0.3
|
|
C20
|
C:QNG301
|
3.7
|
52.6
|
0.3
|
|
CB
|
C:LYS70
|
3.7
|
42.8
|
1.0
|
|
O
|
C:LEU69
|
3.8
|
37.7
|
1.0
|
|
CD2
|
C:LEU69
|
4.0
|
36.7
|
1.0
|
|
CA
|
C:LEU69
|
4.0
|
35.8
|
1.0
|
|
C21
|
C:QNG301
|
4.1
|
51.4
|
0.7
|
|
C21
|
C:QNG301
|
4.2
|
51.4
|
0.3
|
|
CD1
|
C:LEU56
|
4.3
|
36.4
|
1.0
|
|
CG1
|
C:ILE73
|
4.4
|
33.0
|
1.0
|
|
CD
|
C:LYS70
|
4.5
|
53.7
|
1.0
|
|
F42
|
C:QNG301
|
4.6
|
55.4
|
0.3
|
|
F42
|
C:QNG301
|
4.6
|
57.4
|
0.7
|
|
C11
|
C:QNG301
|
4.7
|
57.2
|
0.3
|
|
C11
|
C:QNG301
|
4.7
|
57.3
|
0.7
|
|
C
|
C:MET66
|
4.7
|
41.0
|
1.0
|
|
C
|
C:LYS70
|
4.7
|
38.4
|
1.0
|
|
F27
|
C:QNG301
|
4.8
|
51.6
|
0.7
|
|
F27
|
C:QNG301
|
4.8
|
51.4
|
0.3
|
|
CD1
|
C:LEU69
|
4.8
|
35.9
|
1.0
|
|
CB
|
C:ILE73
|
4.9
|
38.5
|
1.0
|
|
N
|
C:LEU69
|
4.9
|
34.9
|
1.0
|
|
C19
|
C:QNG301
|
5.0
|
50.8
|
0.7
|
|
C19
|
C:QNG301
|
5.0
|
50.8
|
0.3
|
|
C10
|
C:QNG301
|
5.0
|
61.4
|
0.7
|
|
Fluorine binding site 3 out
of 20 in 7rhn
Go back to
Fluorine Binding Sites List in 7rhn
Fluorine binding site 3 out
of 20 in the Co-Crystal Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir
 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 Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:51.6
occ:0.72
|
F27
|
C:QNG301
|
0.0
|
51.6
|
0.7
|
|
F27
|
C:QNG301
|
0.1
|
51.4
|
0.3
|
|
C22
|
C:QNG301
|
1.4
|
47.4
|
0.3
|
|
C22
|
C:QNG301
|
1.4
|
47.0
|
0.7
|
|
C21
|
C:QNG301
|
2.4
|
51.4
|
0.7
|
|
C21
|
C:QNG301
|
2.4
|
51.4
|
0.3
|
|
C23
|
C:QNG301
|
2.4
|
46.5
|
0.3
|
|
C23
|
C:QNG301
|
2.4
|
46.5
|
0.7
|
|
F41
|
C:QNG301
|
2.9
|
51.1
|
0.3
|
|
F41
|
C:QNG301
|
3.0
|
51.1
|
0.7
|
|
CB
|
C:MET66
|
3.0
|
36.0
|
1.0
|
|
O
|
C:HOH402
|
3.1
|
29.6
|
1.0
|
|
CG
|
C:MET66
|
3.1
|
38.7
|
1.0
|
|
SD
|
C:MET66
|
3.4
|
40.0
|
1.0
|
|
O
|
C:LEU56
|
3.5
|
34.8
|
1.0
|
|
F42
|
C:QNG301
|
3.6
|
57.4
|
0.7
|
|
C38
|
C:QNG301
|
3.6
|
53.6
|
0.3
|
|
C20
|
C:QNG301
|
3.7
|
52.8
|
0.7
|
|
C20
|
C:QNG301
|
3.7
|
52.6
|
0.3
|
|
C24
|
C:QNG301
|
3.7
|
50.4
|
0.3
|
|
C24
|
C:QNG301
|
3.7
|
50.4
|
0.7
|
|
F42
|
C:QNG301
|
3.7
|
55.4
|
0.3
|
|
C37
|
C:QNG301
|
3.7
|
50.1
|
0.3
|
|
C38
|
C:QNG301
|
3.8
|
52.9
|
0.7
|
|
CB
|
C:LEU56
|
3.9
|
41.6
|
1.0
|
|
C
|
C:LEU56
|
4.0
|
34.6
|
1.0
|
|
CA
|
C:MET66
|
4.0
|
38.8
|
1.0
|
|
C25
|
C:QNG301
|
4.2
|
50.5
|
0.3
|
|
C25
|
C:QNG301
|
4.2
|
50.4
|
0.7
|
|
C37
|
C:QNG301
|
4.3
|
49.7
|
0.7
|
|
OD1
|
C:ASN57
|
4.4
|
44.5
|
1.0
|
|
CA
|
C:LEU56
|
4.4
|
36.7
|
1.0
|
|
O
|
C:MET66
|
4.5
|
45.2
|
1.0
|
|
C
|
C:MET66
|
4.6
|
41.0
|
1.0
|
|
N
|
C:ASN57
|
4.6
|
30.5
|
1.0
|
|
C39
|
C:QNG301
|
4.7
|
47.4
|
0.3
|
|
F26
|
C:QNG301
|
4.8
|
55.4
|
0.3
|
|
F26
|
C:QNG301
|
4.8
|
55.9
|
0.7
|
|
CA
|
C:ASN57
|
4.9
|
36.7
|
1.0
|
|
C19
|
C:QNG301
|
4.9
|
50.8
|
0.7
|
|
C19
|
C:QNG301
|
4.9
|
50.8
|
0.3
|
|
CG
|
C:LEU56
|
5.0
|
37.0
|
1.0
|
|
Fluorine binding site 4 out
of 20 in 7rhn
Go back to
Fluorine Binding Sites List in 7rhn
Fluorine binding site 4 out
of 20 in the Co-Crystal Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir
 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 Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:51.4
occ:0.28
|
F27
|
C:QNG301
|
0.0
|
51.4
|
0.3
|
|
F27
|
C:QNG301
|
0.1
|
51.6
|
0.7
|
|
C22
|
C:QNG301
|
1.4
|
47.4
|
0.3
|
|
C22
|
C:QNG301
|
1.4
|
47.0
|
0.7
|
|
C21
|
C:QNG301
|
2.4
|
51.4
|
0.7
|
|
C21
|
C:QNG301
|
2.4
|
51.4
|
0.3
|
|
C23
|
C:QNG301
|
2.4
|
46.5
|
0.3
|
|
C23
|
C:QNG301
|
2.4
|
46.5
|
0.7
|
|
F41
|
C:QNG301
|
3.0
|
51.1
|
0.3
|
|
O
|
C:HOH402
|
3.0
|
29.6
|
1.0
|
|
F41
|
C:QNG301
|
3.0
|
51.1
|
0.7
|
|
CB
|
C:MET66
|
3.1
|
36.0
|
1.0
|
|
CG
|
C:MET66
|
3.2
|
38.7
|
1.0
|
|
SD
|
C:MET66
|
3.4
|
40.0
|
1.0
|
|
O
|
C:LEU56
|
3.5
|
34.8
|
1.0
|
|
C20
|
C:QNG301
|
3.6
|
52.8
|
0.7
|
|
F42
|
C:QNG301
|
3.7
|
57.4
|
0.7
|
|
C20
|
C:QNG301
|
3.7
|
52.6
|
0.3
|
|
C24
|
C:QNG301
|
3.7
|
50.4
|
0.3
|
|
C38
|
C:QNG301
|
3.7
|
53.6
|
0.3
|
|
C24
|
C:QNG301
|
3.7
|
50.4
|
0.7
|
|
F42
|
C:QNG301
|
3.8
|
55.4
|
0.3
|
|
C37
|
C:QNG301
|
3.8
|
50.1
|
0.3
|
|
C38
|
C:QNG301
|
3.8
|
52.9
|
0.7
|
|
CB
|
C:LEU56
|
3.8
|
41.6
|
1.0
|
|
C
|
C:LEU56
|
3.9
|
34.6
|
1.0
|
|
CA
|
C:MET66
|
4.1
|
38.8
|
1.0
|
|
C25
|
C:QNG301
|
4.2
|
50.5
|
0.3
|
|
C25
|
C:QNG301
|
4.2
|
50.4
|
0.7
|
|
C37
|
C:QNG301
|
4.4
|
49.7
|
0.7
|
|
CA
|
C:LEU56
|
4.4
|
36.7
|
1.0
|
|
OD1
|
C:ASN57
|
4.4
|
44.5
|
1.0
|
|
O
|
C:MET66
|
4.5
|
45.2
|
1.0
|
|
N
|
C:ASN57
|
4.6
|
30.5
|
1.0
|
|
C
|
C:MET66
|
4.7
|
41.0
|
1.0
|
|
C39
|
C:QNG301
|
4.7
|
47.4
|
0.3
|
|
F26
|
C:QNG301
|
4.8
|
55.4
|
0.3
|
|
F26
|
C:QNG301
|
4.8
|
55.9
|
0.7
|
|
CA
|
C:ASN57
|
4.8
|
36.7
|
1.0
|
|
C19
|
C:QNG301
|
4.9
|
50.8
|
0.7
|
|
C19
|
C:QNG301
|
4.9
|
50.8
|
0.3
|
|
CG
|
C:LEU56
|
4.9
|
37.0
|
1.0
|
|
Fluorine binding site 5 out
of 20 in 7rhn
Go back to
Fluorine Binding Sites List in 7rhn
Fluorine binding site 5 out
of 20 in the Co-Crystal Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir
 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 Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:51.1
occ:0.72
|
F41
|
C:QNG301
|
0.0
|
51.1
|
0.7
|
|
F41
|
C:QNG301
|
0.8
|
51.1
|
0.3
|
|
C38
|
C:QNG301
|
1.3
|
53.6
|
0.3
|
|
C38
|
C:QNG301
|
1.4
|
52.9
|
0.7
|
|
C37
|
C:QNG301
|
1.7
|
50.1
|
0.3
|
|
F42
|
C:QNG301
|
2.2
|
57.4
|
0.7
|
|
C37
|
C:QNG301
|
2.3
|
49.7
|
0.7
|
|
C32
|
C:QNG301
|
2.4
|
53.8
|
0.7
|
|
C32
|
C:QNG301
|
2.4
|
53.4
|
0.3
|
|
F42
|
C:QNG301
|
2.4
|
55.4
|
0.3
|
|
C39
|
C:QNG301
|
2.7
|
47.4
|
0.3
|
|
C36
|
C:QNG301
|
2.9
|
51.1
|
0.3
|
|
F27
|
C:QNG301
|
3.0
|
51.6
|
0.7
|
|
F27
|
C:QNG301
|
3.0
|
51.4
|
0.3
|
|
C31
|
C:QNG301
|
3.1
|
54.4
|
0.3
|
|
N33
|
C:QNG301
|
3.2
|
54.6
|
0.7
|
|
C22
|
C:QNG301
|
3.4
|
47.0
|
0.7
|
|
C39
|
C:QNG301
|
3.4
|
45.6
|
0.7
|
|
C22
|
C:QNG301
|
3.4
|
47.4
|
0.3
|
|
C31
|
C:QNG301
|
3.4
|
55.8
|
0.7
|
|
N33
|
C:QNG301
|
3.4
|
54.3
|
0.3
|
|
C36
|
C:QNG301
|
3.5
|
51.0
|
0.7
|
|
C30
|
C:QNG301
|
3.5
|
54.7
|
0.7
|
|
C21
|
C:QNG301
|
3.6
|
51.4
|
0.7
|
|
C21
|
C:QNG301
|
3.6
|
51.4
|
0.3
|
|
OE1
|
C:GLN63
|
3.6
|
38.8
|
1.0
|
|
C28
|
C:QNG301
|
3.9
|
58.1
|
0.7
|
|
O
|
C:HOH402
|
3.9
|
29.6
|
1.0
|
|
C30
|
C:QNG301
|
3.9
|
54.8
|
0.3
|
|
CB
|
C:MET66
|
4.0
|
36.0
|
1.0
|
|
C28
|
C:QNG301
|
4.2
|
57.4
|
0.3
|
|
C23
|
C:QNG301
|
4.3
|
46.5
|
0.7
|
|
C23
|
C:QNG301
|
4.3
|
46.5
|
0.3
|
|
N43
|
C:QNG301
|
4.3
|
54.8
|
0.7
|
|
O29
|
C:QNG301
|
4.3
|
59.9
|
0.7
|
|
C35
|
C:QNG301
|
4.3
|
51.3
|
0.3
|
|
OD1
|
C:ASN57
|
4.4
|
44.5
|
1.0
|
|
N43
|
C:QNG301
|
4.4
|
54.7
|
0.3
|
|
N34
|
C:QNG301
|
4.4
|
55.5
|
0.7
|
|
N34
|
C:QNG301
|
4.5
|
55.1
|
0.3
|
|
C35
|
C:QNG301
|
4.5
|
51.1
|
0.7
|
|
CD
|
C:GLN63
|
4.5
|
39.3
|
1.0
|
|
C20
|
C:QNG301
|
4.6
|
52.8
|
0.7
|
|
C20
|
C:QNG301
|
4.6
|
52.6
|
0.3
|
|
CG
|
C:MET66
|
4.6
|
38.7
|
1.0
|
|
O29
|
C:QNG301
|
4.7
|
59.3
|
0.3
|
|
NE2
|
C:GLN63
|
4.7
|
34.1
|
1.0
|
|
Fluorine binding site 6 out
of 20 in 7rhn
Go back to
Fluorine Binding Sites List in 7rhn
Fluorine binding site 6 out
of 20 in the Co-Crystal Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir
 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 Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:51.1
occ:0.28
|
F41
|
C:QNG301
|
0.0
|
51.1
|
0.3
|
|
F41
|
C:QNG301
|
0.8
|
51.1
|
0.7
|
|
C38
|
C:QNG301
|
1.4
|
53.6
|
0.3
|
|
C38
|
C:QNG301
|
1.8
|
52.9
|
0.7
|
|
F42
|
C:QNG301
|
2.3
|
55.4
|
0.3
|
|
F42
|
C:QNG301
|
2.3
|
57.4
|
0.7
|
|
C37
|
C:QNG301
|
2.3
|
50.1
|
0.3
|
|
C32
|
C:QNG301
|
2.4
|
53.4
|
0.3
|
|
C32
|
C:QNG301
|
2.6
|
53.8
|
0.7
|
|
F27
|
C:QNG301
|
2.9
|
51.6
|
0.7
|
|
F27
|
C:QNG301
|
3.0
|
51.4
|
0.3
|
|
C21
|
C:QNG301
|
3.0
|
51.4
|
0.7
|
|
C21
|
C:QNG301
|
3.0
|
51.4
|
0.3
|
|
C37
|
C:QNG301
|
3.0
|
49.7
|
0.7
|
|
C30
|
C:QNG301
|
3.1
|
54.7
|
0.7
|
|
C22
|
C:QNG301
|
3.1
|
47.0
|
0.7
|
|
N33
|
C:QNG301
|
3.1
|
54.6
|
0.7
|
|
C22
|
C:QNG301
|
3.1
|
47.4
|
0.3
|
|
N33
|
C:QNG301
|
3.3
|
54.3
|
0.3
|
|
C28
|
C:QNG301
|
3.3
|
58.1
|
0.7
|
|
C39
|
C:QNG301
|
3.5
|
47.4
|
0.3
|
|
C30
|
C:QNG301
|
3.5
|
54.8
|
0.3
|
|
C31
|
C:QNG301
|
3.5
|
54.4
|
0.3
|
|
C36
|
C:QNG301
|
3.5
|
51.1
|
0.3
|
|
OD1
|
C:ASN57
|
3.6
|
44.5
|
1.0
|
|
N43
|
C:QNG301
|
3.6
|
54.8
|
0.7
|
|
C28
|
C:QNG301
|
3.6
|
57.4
|
0.3
|
|
N43
|
C:QNG301
|
3.7
|
54.7
|
0.3
|
|
C31
|
C:QNG301
|
3.8
|
55.8
|
0.7
|
|
O
|
C:HOH402
|
3.9
|
29.6
|
1.0
|
|
O29
|
C:QNG301
|
3.9
|
59.9
|
0.7
|
|
C20
|
C:QNG301
|
4.0
|
52.8
|
0.7
|
|
C20
|
C:QNG301
|
4.0
|
52.6
|
0.3
|
|
C36
|
C:QNG301
|
4.1
|
51.0
|
0.7
|
|
C23
|
C:QNG301
|
4.2
|
46.5
|
0.7
|
|
C23
|
C:QNG301
|
4.2
|
46.5
|
0.3
|
|
C39
|
C:QNG301
|
4.2
|
45.6
|
0.7
|
|
O29
|
C:QNG301
|
4.2
|
59.3
|
0.3
|
|
OE1
|
C:GLN63
|
4.3
|
38.8
|
1.0
|
|
N34
|
C:QNG301
|
4.5
|
55.5
|
0.7
|
|
N34
|
C:QNG301
|
4.5
|
55.1
|
0.3
|
|
CB
|
C:MET66
|
4.5
|
36.0
|
1.0
|
|
C01
|
C:QNG301
|
4.6
|
55.1
|
0.7
|
|
C01
|
C:QNG301
|
4.6
|
55.0
|
0.3
|
|
C35
|
C:QNG301
|
4.6
|
51.3
|
0.3
|
|
C19
|
C:QNG301
|
4.7
|
50.8
|
0.7
|
|
C19
|
C:QNG301
|
4.7
|
50.8
|
0.3
|
|
CG
|
C:ASN57
|
4.7
|
44.2
|
1.0
|
|
C35
|
C:QNG301
|
4.8
|
51.1
|
0.7
|
|
C25
|
C:QNG301
|
4.8
|
50.5
|
0.3
|
|
C25
|
C:QNG301
|
4.9
|
50.4
|
0.7
|
|
C24
|
C:QNG301
|
4.9
|
50.4
|
0.3
|
|
C24
|
C:QNG301
|
4.9
|
50.4
|
0.7
|
|
CA
|
C:ASN57
|
5.0
|
36.7
|
1.0
|
|
Fluorine binding site 7 out
of 20 in 7rhn
Go back to
Fluorine Binding Sites List in 7rhn
Fluorine binding site 7 out
of 20 in the Co-Crystal Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir
 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 Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:57.4
occ:0.72
|
F42
|
C:QNG301
|
0.0
|
57.4
|
0.7
|
|
F42
|
C:QNG301
|
0.6
|
55.4
|
0.3
|
|
C38
|
C:QNG301
|
1.2
|
53.6
|
0.3
|
|
C38
|
C:QNG301
|
1.4
|
52.9
|
0.7
|
|
C37
|
C:QNG301
|
1.8
|
50.1
|
0.3
|
|
F41
|
C:QNG301
|
2.2
|
51.1
|
0.7
|
|
F41
|
C:QNG301
|
2.3
|
51.1
|
0.3
|
|
C37
|
C:QNG301
|
2.4
|
49.7
|
0.7
|
|
C32
|
C:QNG301
|
2.4
|
53.4
|
0.3
|
|
C32
|
C:QNG301
|
2.4
|
53.8
|
0.7
|
|
C36
|
C:QNG301
|
2.7
|
51.1
|
0.3
|
|
CD
|
C:LYS70
|
3.0
|
53.7
|
1.0
|
|
C31
|
C:QNG301
|
3.1
|
54.4
|
0.3
|
|
O29
|
C:QNG301
|
3.1
|
59.9
|
0.7
|
|
C22
|
C:QNG301
|
3.1
|
47.0
|
0.7
|
|
C22
|
C:QNG301
|
3.2
|
47.4
|
0.3
|
|
C21
|
C:QNG301
|
3.2
|
51.4
|
0.7
|
|
C28
|
C:QNG301
|
3.3
|
58.1
|
0.7
|
|
C21
|
C:QNG301
|
3.3
|
51.4
|
0.3
|
|
C39
|
C:QNG301
|
3.3
|
47.4
|
0.3
|
|
C36
|
C:QNG301
|
3.3
|
51.0
|
0.7
|
|
N33
|
C:QNG301
|
3.3
|
54.6
|
0.7
|
|
C31
|
C:QNG301
|
3.3
|
55.8
|
0.7
|
|
C23
|
C:QNG301
|
3.4
|
46.5
|
0.7
|
|
C23
|
C:QNG301
|
3.4
|
46.5
|
0.3
|
|
NZ
|
C:LYS70
|
3.4
|
62.9
|
1.0
|
|
CG
|
C:LYS70
|
3.5
|
46.7
|
1.0
|
|
CE
|
C:LYS70
|
3.5
|
64.8
|
1.0
|
|
N33
|
C:QNG301
|
3.5
|
54.3
|
0.3
|
|
O29
|
C:QNG301
|
3.6
|
59.3
|
0.3
|
|
C28
|
C:QNG301
|
3.6
|
57.4
|
0.3
|
|
F27
|
C:QNG301
|
3.6
|
51.6
|
0.7
|
|
C20
|
C:QNG301
|
3.6
|
52.8
|
0.7
|
|
C20
|
C:QNG301
|
3.6
|
52.6
|
0.3
|
|
F27
|
C:QNG301
|
3.7
|
51.4
|
0.3
|
|
C30
|
C:QNG301
|
3.7
|
54.7
|
0.7
|
|
C24
|
C:QNG301
|
3.8
|
50.4
|
0.3
|
|
C24
|
C:QNG301
|
3.8
|
50.4
|
0.7
|
|
C25
|
C:QNG301
|
3.9
|
50.5
|
0.3
|
|
N43
|
C:QNG301
|
3.9
|
54.8
|
0.7
|
|
C25
|
C:QNG301
|
3.9
|
50.4
|
0.7
|
|
C39
|
C:QNG301
|
3.9
|
45.6
|
0.7
|
|
N43
|
C:QNG301
|
3.9
|
54.7
|
0.3
|
|
C30
|
C:QNG301
|
4.1
|
54.8
|
0.3
|
|
O
|
C:MET66
|
4.2
|
45.2
|
1.0
|
|
C01
|
C:QNG301
|
4.3
|
55.0
|
0.3
|
|
C01
|
C:QNG301
|
4.3
|
55.1
|
0.7
|
|
C35
|
C:QNG301
|
4.3
|
51.3
|
0.3
|
|
N34
|
C:QNG301
|
4.5
|
55.5
|
0.7
|
|
C35
|
C:QNG301
|
4.5
|
51.1
|
0.7
|
|
N34
|
C:QNG301
|
4.5
|
55.1
|
0.3
|
|
CB
|
C:MET66
|
4.5
|
36.0
|
1.0
|
|
C19
|
C:QNG301
|
4.5
|
50.8
|
0.7
|
|
C19
|
C:QNG301
|
4.5
|
50.8
|
0.3
|
|
F26
|
C:QNG301
|
4.6
|
55.4
|
0.3
|
|
F26
|
C:QNG301
|
4.6
|
55.9
|
0.7
|
|
C
|
C:MET66
|
4.7
|
41.0
|
1.0
|
|
OD1
|
C:ASN57
|
4.9
|
44.5
|
1.0
|
|
CB
|
C:LYS70
|
5.0
|
42.8
|
1.0
|
|
Fluorine binding site 8 out
of 20 in 7rhn
Go back to
Fluorine Binding Sites List in 7rhn
Fluorine binding site 8 out
of 20 in the Co-Crystal Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir
 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 Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:55.4
occ:0.28
|
F42
|
C:QNG301
|
0.0
|
55.4
|
0.3
|
|
F42
|
C:QNG301
|
0.6
|
57.4
|
0.7
|
|
C38
|
C:QNG301
|
1.4
|
53.6
|
0.3
|
|
C38
|
C:QNG301
|
1.8
|
52.9
|
0.7
|
|
F41
|
C:QNG301
|
2.3
|
51.1
|
0.3
|
|
C37
|
C:QNG301
|
2.3
|
50.1
|
0.3
|
|
C32
|
C:QNG301
|
2.4
|
53.4
|
0.3
|
|
F41
|
C:QNG301
|
2.4
|
51.1
|
0.7
|
|
C32
|
C:QNG301
|
2.5
|
53.8
|
0.7
|
|
O29
|
C:QNG301
|
2.7
|
59.9
|
0.7
|
|
C28
|
C:QNG301
|
2.8
|
58.1
|
0.7
|
|
C37
|
C:QNG301
|
2.9
|
49.7
|
0.7
|
|
C21
|
C:QNG301
|
2.9
|
51.4
|
0.7
|
|
C21
|
C:QNG301
|
3.0
|
51.4
|
0.3
|
|
C28
|
C:QNG301
|
3.1
|
57.4
|
0.3
|
|
C22
|
C:QNG301
|
3.1
|
47.0
|
0.7
|
|
O29
|
C:QNG301
|
3.1
|
59.3
|
0.3
|
|
C22
|
C:QNG301
|
3.1
|
47.4
|
0.3
|
|
C20
|
C:QNG301
|
3.2
|
52.8
|
0.7
|
|
C36
|
C:QNG301
|
3.2
|
51.1
|
0.3
|
|
C20
|
C:QNG301
|
3.2
|
52.6
|
0.3
|
|
N33
|
C:QNG301
|
3.2
|
54.6
|
0.7
|
|
CD
|
C:LYS70
|
3.2
|
53.7
|
1.0
|
|
N43
|
C:QNG301
|
3.3
|
54.8
|
0.7
|
|
C31
|
C:QNG301
|
3.3
|
54.4
|
0.3
|
|
N33
|
C:QNG301
|
3.4
|
54.3
|
0.3
|
|
N43
|
C:QNG301
|
3.4
|
54.7
|
0.3
|
|
C30
|
C:QNG301
|
3.4
|
54.7
|
0.7
|
|
NZ
|
C:LYS70
|
3.4
|
62.9
|
1.0
|
|
C23
|
C:QNG301
|
3.4
|
46.5
|
0.7
|
|
C23
|
C:QNG301
|
3.5
|
46.5
|
0.3
|
|
CE
|
C:LYS70
|
3.5
|
64.8
|
1.0
|
|
C25
|
C:QNG301
|
3.5
|
50.5
|
0.3
|
|
C25
|
C:QNG301
|
3.5
|
50.4
|
0.7
|
|
C31
|
C:QNG301
|
3.6
|
55.8
|
0.7
|
|
CG
|
C:LYS70
|
3.6
|
46.7
|
1.0
|
|
C24
|
C:QNG301
|
3.7
|
50.4
|
0.3
|
|
C24
|
C:QNG301
|
3.7
|
50.4
|
0.7
|
|
C01
|
C:QNG301
|
3.7
|
55.0
|
0.3
|
|
C01
|
C:QNG301
|
3.7
|
55.1
|
0.7
|
|
F27
|
C:QNG301
|
3.7
|
51.6
|
0.7
|
|
C30
|
C:QNG301
|
3.7
|
54.8
|
0.3
|
|
F27
|
C:QNG301
|
3.8
|
51.4
|
0.3
|
|
C36
|
C:QNG301
|
3.8
|
51.0
|
0.7
|
|
C39
|
C:QNG301
|
3.8
|
47.4
|
0.3
|
|
C19
|
C:QNG301
|
4.0
|
50.8
|
0.7
|
|
C19
|
C:QNG301
|
4.0
|
50.8
|
0.3
|
|
C39
|
C:QNG301
|
4.4
|
45.6
|
0.7
|
|
N34
|
C:QNG301
|
4.4
|
55.5
|
0.7
|
|
C35
|
C:QNG301
|
4.5
|
51.3
|
0.3
|
|
N34
|
C:QNG301
|
4.5
|
55.1
|
0.3
|
|
OD1
|
C:ASN57
|
4.5
|
44.5
|
1.0
|
|
F26
|
C:QNG301
|
4.6
|
55.4
|
0.3
|
|
C35
|
C:QNG301
|
4.6
|
51.1
|
0.7
|
|
F26
|
C:QNG301
|
4.6
|
55.9
|
0.7
|
|
O
|
C:MET66
|
4.6
|
45.2
|
1.0
|
|
CB
|
C:MET66
|
5.0
|
36.0
|
1.0
|
|
Fluorine binding site 9 out
of 20 in 7rhn
Go back to
Fluorine Binding Sites List in 7rhn
Fluorine binding site 9 out
of 20 in the Co-Crystal Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir
 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 Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:50.3
occ:0.72
|
F52
|
C:QNG301
|
0.0
|
50.3
|
0.7
|
|
F52
|
C:QNG301
|
0.3
|
50.0
|
0.3
|
|
C40
|
C:QNG301
|
1.4
|
46.8
|
0.7
|
|
C40
|
C:QNG301
|
1.5
|
47.2
|
0.3
|
|
F53
|
C:QNG301
|
2.1
|
50.1
|
0.3
|
|
F64
|
C:QNG301
|
2.2
|
44.3
|
0.7
|
|
F53
|
C:QNG301
|
2.2
|
50.2
|
0.7
|
|
F64
|
C:QNG301
|
2.3
|
44.6
|
0.3
|
|
C35
|
C:QNG301
|
2.4
|
51.1
|
0.7
|
|
C35
|
C:QNG301
|
2.6
|
51.3
|
0.3
|
|
C31
|
C:QNG301
|
3.0
|
55.8
|
0.7
|
|
NE2
|
C:HIS67
|
3.2
|
45.4
|
0.3
|
|
C31
|
C:QNG301
|
3.3
|
54.4
|
0.3
|
|
CE1
|
C:HIS67
|
3.5
|
46.4
|
0.3
|
|
N34
|
C:QNG301
|
3.5
|
55.5
|
0.7
|
|
C36
|
C:QNG301
|
3.6
|
51.0
|
0.7
|
|
N34
|
C:QNG301
|
3.7
|
55.1
|
0.3
|
|
C36
|
C:QNG301
|
4.0
|
51.1
|
0.3
|
|
NZ
|
C:LYS70
|
4.2
|
62.9
|
1.0
|
|
C32
|
C:QNG301
|
4.3
|
53.8
|
0.7
|
|
CD2
|
C:HIS67
|
4.5
|
44.0
|
0.3
|
|
N33
|
C:QNG301
|
4.5
|
54.6
|
0.7
|
|
C32
|
C:QNG301
|
4.6
|
53.4
|
0.3
|
|
N33
|
C:QNG301
|
4.7
|
54.3
|
0.3
|
|
ND1
|
C:HIS67
|
4.7
|
45.1
|
0.3
|
|
CD2
|
C:HIS67
|
4.8
|
44.5
|
0.7
|
|
C39
|
C:QNG301
|
4.8
|
45.6
|
0.7
|
|
Fluorine binding site 10 out
of 20 in 7rhn
Go back to
Fluorine Binding Sites List in 7rhn
Fluorine binding site 10 out
of 20 in the Co-Crystal Structure of Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir
 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 Q67H Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer and Lenacapavir within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:50.0
occ:0.28
|
F52
|
C:QNG301
|
0.0
|
50.0
|
0.3
|
|
F52
|
C:QNG301
|
0.3
|
50.3
|
0.7
|
|
C40
|
C:QNG301
|
1.3
|
46.8
|
0.7
|
|
C40
|
C:QNG301
|
1.4
|
47.2
|
0.3
|
|
F64
|
C:QNG301
|
2.2
|
44.3
|
0.7
|
|
C35
|
C:QNG301
|
2.2
|
51.1
|
0.7
|
|
F53
|
C:QNG301
|
2.2
|
50.1
|
0.3
|
|
F64
|
C:QNG301
|
2.2
|
44.6
|
0.3
|
|
F53
|
C:QNG301
|
2.4
|
50.2
|
0.7
|
|
C35
|
C:QNG301
|
2.4
|
51.3
|
0.3
|
|
C31
|
C:QNG301
|
2.7
|
55.8
|
0.7
|
|
C31
|
C:QNG301
|
3.1
|
54.4
|
0.3
|
|
NE2
|
C:HIS67
|
3.1
|
45.4
|
0.3
|
|
C36
|
C:QNG301
|
3.3
|
51.0
|
0.7
|
|
CE1
|
C:HIS67
|
3.3
|
46.4
|
0.3
|
|
N34
|
C:QNG301
|
3.4
|
55.5
|
0.7
|
|
N34
|
C:QNG301
|
3.5
|
55.1
|
0.3
|
|
C36
|
C:QNG301
|
3.6
|
51.1
|
0.3
|
|
C32
|
C:QNG301
|
4.0
|
53.8
|
0.7
|
|
NZ
|
C:LYS70
|
4.1
|
62.9
|
1.0
|
|
N33
|
C:QNG301
|
4.3
|
54.6
|
0.7
|
|
CD2
|
C:HIS67
|
4.3
|
44.0
|
0.3
|
|
C32
|
C:QNG301
|
4.3
|
53.4
|
0.3
|
|
ND1
|
C:HIS67
|
4.5
|
45.1
|
0.3
|
|
C39
|
C:QNG301
|
4.5
|
45.6
|
0.7
|
|
N33
|
C:QNG301
|
4.5
|
54.3
|
0.3
|
|
CD2
|
C:HIS67
|
4.7
|
44.5
|
0.7
|
|
C37
|
C:QNG301
|
4.7
|
49.7
|
0.7
|
|
C39
|
C:QNG301
|
4.8
|
47.4
|
0.3
|
|
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 12:06:26 2024
|
