Fluorine in PDB 7tjp: Hiv-1 GP120 Complex with Cjf-II-195
Protein crystallography data
The structure of Hiv-1 GP120 Complex with Cjf-II-195, PDB code: 7tjp
was solved by
Z.Gong,
W.A.Hendrickson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
48.74 /
2.77
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
71.21,
121.635,
194.967,
90,
90,
90
|
|
R / Rfree (%)
|
22.4 /
26.5
|
Other elements in 7tjp:
The structure of Hiv-1 GP120 Complex with Cjf-II-195 also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Hiv-1 GP120 Complex with Cjf-II-195
(pdb code 7tjp). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the
Hiv-1 GP120 Complex with Cjf-II-195, PDB code: 7tjp:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Fluorine binding site 1 out
of 8 in 7tjp
Go back to
Fluorine Binding Sites List in 7tjp
Fluorine binding site 1 out
of 8 in the Hiv-1 GP120 Complex with Cjf-II-195
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Hiv-1 GP120 Complex with Cjf-II-195 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F510
b:36.0
occ:0.38
|
F11
|
A:I6M510
|
0.0
|
36.0
|
0.4
|
|
F11
|
A:I6M510
|
0.1
|
36.3
|
0.6
|
|
C10
|
A:I6M510
|
1.4
|
31.3
|
0.4
|
|
C10
|
A:I6M510
|
1.4
|
31.1
|
0.6
|
|
C12
|
A:I6M510
|
2.4
|
34.0
|
0.4
|
|
C08
|
A:I6M510
|
2.4
|
29.9
|
0.4
|
|
C08
|
A:I6M510
|
2.4
|
29.7
|
0.6
|
|
C12
|
A:I6M510
|
2.4
|
34.1
|
0.6
|
|
OG
|
A:SER375
|
2.9
|
26.1
|
1.0
|
|
CL09
|
A:I6M510
|
3.0
|
31.5
|
0.6
|
|
CL09
|
A:I6M510
|
3.0
|
29.1
|
0.4
|
|
O
|
A:SER375
|
3.2
|
41.1
|
1.0
|
|
CG2
|
A:THR257
|
3.3
|
35.0
|
1.0
|
|
CA
|
A:SER256
|
3.3
|
28.0
|
1.0
|
|
CE
|
A:MET475
|
3.4
|
23.8
|
1.0
|
|
C
|
A:SER256
|
3.6
|
31.2
|
1.0
|
|
C
|
A:SER375
|
3.6
|
28.4
|
1.0
|
|
C05
|
A:I6M510
|
3.6
|
35.8
|
0.4
|
|
C07
|
A:I6M510
|
3.6
|
30.1
|
0.4
|
|
C05
|
A:I6M510
|
3.7
|
36.2
|
0.6
|
|
C07
|
A:I6M510
|
3.7
|
30.0
|
0.6
|
|
N
|
A:THR257
|
3.7
|
20.5
|
1.0
|
|
N
|
A:SER256
|
3.8
|
25.8
|
1.0
|
|
CG1
|
A:VAL255
|
3.8
|
28.1
|
1.0
|
|
CB
|
A:SER375
|
3.9
|
27.1
|
1.0
|
|
N
|
A:PHE376
|
4.1
|
32.8
|
1.0
|
|
O
|
A:VAL255
|
4.1
|
29.7
|
1.0
|
|
C06
|
A:I6M510
|
4.1
|
31.8
|
0.4
|
|
C
|
A:VAL255
|
4.1
|
22.8
|
1.0
|
|
C06
|
A:I6M510
|
4.2
|
31.8
|
0.6
|
|
CA
|
A:PHE376
|
4.3
|
26.0
|
1.0
|
|
O
|
A:SER256
|
4.3
|
31.8
|
1.0
|
|
CA
|
A:SER375
|
4.4
|
23.1
|
1.0
|
|
CB
|
A:THR257
|
4.5
|
22.2
|
1.0
|
|
CB
|
A:SER256
|
4.6
|
20.1
|
1.0
|
|
O13
|
A:I6M510
|
4.6
|
34.0
|
0.6
|
|
O13
|
A:I6M510
|
4.6
|
34.2
|
0.4
|
|
CA
|
A:THR257
|
4.7
|
20.6
|
1.0
|
|
N04
|
A:I6M510
|
4.9
|
34.8
|
0.4
|
|
N04
|
A:I6M510
|
4.9
|
35.1
|
0.6
|
|
OG1
|
A:THR257
|
4.9
|
29.4
|
1.0
|
|
SD
|
A:MET475
|
5.0
|
23.2
|
1.0
|
|
N
|
A:SER375
|
5.0
|
29.0
|
1.0
|
|
Fluorine binding site 2 out
of 8 in 7tjp
Go back to
Fluorine Binding Sites List in 7tjp
Fluorine binding site 2 out
of 8 in the Hiv-1 GP120 Complex with Cjf-II-195
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Hiv-1 GP120 Complex with Cjf-II-195 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F510
b:36.3
occ:0.62
|
F11
|
A:I6M510
|
0.0
|
36.3
|
0.6
|
|
F11
|
A:I6M510
|
0.1
|
36.0
|
0.4
|
|
C10
|
A:I6M510
|
1.3
|
31.3
|
0.4
|
|
C10
|
A:I6M510
|
1.4
|
31.1
|
0.6
|
|
C12
|
A:I6M510
|
2.3
|
34.0
|
0.4
|
|
C08
|
A:I6M510
|
2.3
|
29.9
|
0.4
|
|
C12
|
A:I6M510
|
2.4
|
34.1
|
0.6
|
|
C08
|
A:I6M510
|
2.4
|
29.7
|
0.6
|
|
OG
|
A:SER375
|
2.9
|
26.1
|
1.0
|
|
CL09
|
A:I6M510
|
3.0
|
31.5
|
0.6
|
|
CL09
|
A:I6M510
|
3.0
|
29.1
|
0.4
|
|
O
|
A:SER375
|
3.2
|
41.1
|
1.0
|
|
CG2
|
A:THR257
|
3.3
|
35.0
|
1.0
|
|
CA
|
A:SER256
|
3.4
|
28.0
|
1.0
|
|
CE
|
A:MET475
|
3.4
|
23.8
|
1.0
|
|
C05
|
A:I6M510
|
3.6
|
35.8
|
0.4
|
|
C07
|
A:I6M510
|
3.6
|
30.1
|
0.4
|
|
C05
|
A:I6M510
|
3.6
|
36.2
|
0.6
|
|
C07
|
A:I6M510
|
3.6
|
30.0
|
0.6
|
|
C
|
A:SER375
|
3.6
|
28.4
|
1.0
|
|
C
|
A:SER256
|
3.6
|
31.2
|
1.0
|
|
N
|
A:THR257
|
3.7
|
20.5
|
1.0
|
|
CG1
|
A:VAL255
|
3.8
|
28.1
|
1.0
|
|
N
|
A:SER256
|
3.9
|
25.8
|
1.0
|
|
CB
|
A:SER375
|
3.9
|
27.1
|
1.0
|
|
C06
|
A:I6M510
|
4.1
|
31.8
|
0.4
|
|
N
|
A:PHE376
|
4.1
|
32.8
|
1.0
|
|
C06
|
A:I6M510
|
4.1
|
31.8
|
0.6
|
|
O
|
A:VAL255
|
4.2
|
29.7
|
1.0
|
|
C
|
A:VAL255
|
4.2
|
22.8
|
1.0
|
|
CA
|
A:PHE376
|
4.3
|
26.0
|
1.0
|
|
O
|
A:SER256
|
4.3
|
31.8
|
1.0
|
|
CA
|
A:SER375
|
4.4
|
23.1
|
1.0
|
|
CB
|
A:THR257
|
4.5
|
22.2
|
1.0
|
|
O13
|
A:I6M510
|
4.5
|
34.0
|
0.6
|
|
O13
|
A:I6M510
|
4.6
|
34.2
|
0.4
|
|
CB
|
A:SER256
|
4.6
|
20.1
|
1.0
|
|
CA
|
A:THR257
|
4.7
|
20.6
|
1.0
|
|
N04
|
A:I6M510
|
4.8
|
34.8
|
0.4
|
|
N04
|
A:I6M510
|
4.8
|
35.1
|
0.6
|
|
OG1
|
A:THR257
|
4.9
|
29.4
|
1.0
|
|
O
|
A:GLU370
|
5.0
|
35.9
|
1.0
|
|
SD
|
A:MET475
|
5.0
|
23.2
|
1.0
|
|
Fluorine binding site 3 out
of 8 in 7tjp
Go back to
Fluorine Binding Sites List in 7tjp
Fluorine binding site 3 out
of 8 in the Hiv-1 GP120 Complex with Cjf-II-195
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Hiv-1 GP120 Complex with Cjf-II-195 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F509
b:42.5
occ:0.58
|
F11
|
B:I6M509
|
0.0
|
42.5
|
0.6
|
|
F11
|
B:I6M509
|
0.0
|
42.5
|
0.4
|
|
C10
|
B:I6M509
|
1.4
|
35.8
|
0.6
|
|
C10
|
B:I6M509
|
1.4
|
35.5
|
0.4
|
|
C08
|
B:I6M509
|
2.3
|
34.7
|
0.6
|
|
C08
|
B:I6M509
|
2.3
|
34.6
|
0.4
|
|
C12
|
B:I6M509
|
2.4
|
35.7
|
0.6
|
|
C12
|
B:I6M509
|
2.4
|
35.7
|
0.4
|
|
OG
|
B:SER375
|
2.8
|
29.2
|
1.0
|
|
CL09
|
B:I6M509
|
2.9
|
32.1
|
0.6
|
|
CL09
|
B:I6M509
|
2.9
|
31.6
|
0.4
|
|
O
|
B:SER375
|
3.1
|
41.5
|
1.0
|
|
CG2
|
B:THR257
|
3.4
|
36.5
|
1.0
|
|
CA
|
B:SER256
|
3.4
|
38.1
|
1.0
|
|
C
|
B:SER375
|
3.5
|
32.6
|
1.0
|
|
C07
|
B:I6M509
|
3.6
|
37.2
|
0.6
|
|
C07
|
B:I6M509
|
3.6
|
37.1
|
0.4
|
|
CE
|
B:MET475
|
3.6
|
31.4
|
1.0
|
|
C05
|
B:I6M509
|
3.6
|
35.7
|
0.6
|
|
C05
|
B:I6M509
|
3.6
|
35.5
|
0.4
|
|
CB
|
B:SER375
|
3.7
|
29.2
|
1.0
|
|
C
|
B:SER256
|
3.8
|
29.7
|
1.0
|
|
N
|
B:THR257
|
3.8
|
22.3
|
1.0
|
|
CG1
|
B:VAL255
|
3.9
|
39.0
|
1.0
|
|
N
|
B:PHE376
|
3.9
|
28.5
|
1.0
|
|
N
|
B:SER256
|
3.9
|
41.5
|
1.0
|
|
C06
|
B:I6M509
|
4.1
|
34.7
|
0.6
|
|
C06
|
B:I6M509
|
4.1
|
34.5
|
0.4
|
|
CA
|
B:PHE376
|
4.1
|
31.0
|
1.0
|
|
O
|
B:VAL255
|
4.1
|
40.3
|
1.0
|
|
C
|
B:VAL255
|
4.2
|
43.6
|
1.0
|
|
CA
|
B:SER375
|
4.2
|
30.5
|
1.0
|
|
O
|
B:SER256
|
4.5
|
41.0
|
1.0
|
|
CB
|
B:THR257
|
4.6
|
29.1
|
1.0
|
|
CB
|
B:SER256
|
4.7
|
33.9
|
1.0
|
|
O13
|
B:I6M509
|
4.8
|
39.3
|
0.4
|
|
O13
|
B:I6M509
|
4.8
|
39.3
|
0.6
|
|
CA
|
B:THR257
|
4.8
|
30.9
|
1.0
|
|
N04
|
B:I6M509
|
4.9
|
35.3
|
0.6
|
|
N04
|
B:I6M509
|
4.9
|
35.3
|
0.4
|
|
N
|
B:SER375
|
4.9
|
32.1
|
1.0
|
|
OG1
|
B:THR257
|
5.0
|
28.3
|
1.0
|
|
O
|
B:GLU370
|
5.0
|
34.6
|
1.0
|
|
Fluorine binding site 4 out
of 8 in 7tjp
Go back to
Fluorine Binding Sites List in 7tjp
Fluorine binding site 4 out
of 8 in the Hiv-1 GP120 Complex with Cjf-II-195
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Hiv-1 GP120 Complex with Cjf-II-195 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F509
b:42.5
occ:0.43
|
F11
|
B:I6M509
|
0.0
|
42.5
|
0.4
|
|
F11
|
B:I6M509
|
0.0
|
42.5
|
0.6
|
|
C10
|
B:I6M509
|
1.3
|
35.8
|
0.6
|
|
C10
|
B:I6M509
|
1.4
|
35.5
|
0.4
|
|
C08
|
B:I6M509
|
2.3
|
34.7
|
0.6
|
|
C08
|
B:I6M509
|
2.4
|
34.6
|
0.4
|
|
C12
|
B:I6M509
|
2.4
|
35.7
|
0.6
|
|
C12
|
B:I6M509
|
2.4
|
35.7
|
0.4
|
|
OG
|
B:SER375
|
2.8
|
29.2
|
1.0
|
|
CL09
|
B:I6M509
|
2.9
|
32.1
|
0.6
|
|
CL09
|
B:I6M509
|
2.9
|
31.6
|
0.4
|
|
O
|
B:SER375
|
3.1
|
41.5
|
1.0
|
|
CG2
|
B:THR257
|
3.4
|
36.5
|
1.0
|
|
CA
|
B:SER256
|
3.5
|
38.1
|
1.0
|
|
C
|
B:SER375
|
3.5
|
32.6
|
1.0
|
|
C07
|
B:I6M509
|
3.6
|
37.2
|
0.6
|
|
C05
|
B:I6M509
|
3.6
|
35.7
|
0.6
|
|
C07
|
B:I6M509
|
3.6
|
37.1
|
0.4
|
|
C05
|
B:I6M509
|
3.6
|
35.5
|
0.4
|
|
CE
|
B:MET475
|
3.6
|
31.4
|
1.0
|
|
CB
|
B:SER375
|
3.7
|
29.2
|
1.0
|
|
C
|
B:SER256
|
3.8
|
29.7
|
1.0
|
|
N
|
B:THR257
|
3.8
|
22.3
|
1.0
|
|
CG1
|
B:VAL255
|
3.9
|
39.0
|
1.0
|
|
N
|
B:PHE376
|
3.9
|
28.5
|
1.0
|
|
N
|
B:SER256
|
4.0
|
41.5
|
1.0
|
|
C06
|
B:I6M509
|
4.1
|
34.7
|
0.6
|
|
C06
|
B:I6M509
|
4.1
|
34.5
|
0.4
|
|
CA
|
B:PHE376
|
4.1
|
31.0
|
1.0
|
|
O
|
B:VAL255
|
4.2
|
40.3
|
1.0
|
|
CA
|
B:SER375
|
4.2
|
30.5
|
1.0
|
|
C
|
B:VAL255
|
4.3
|
43.6
|
1.0
|
|
O
|
B:SER256
|
4.5
|
41.0
|
1.0
|
|
CB
|
B:THR257
|
4.6
|
29.1
|
1.0
|
|
CB
|
B:SER256
|
4.7
|
33.9
|
1.0
|
|
O13
|
B:I6M509
|
4.8
|
39.3
|
0.4
|
|
O13
|
B:I6M509
|
4.8
|
39.3
|
0.6
|
|
CA
|
B:THR257
|
4.8
|
30.9
|
1.0
|
|
N04
|
B:I6M509
|
4.9
|
35.3
|
0.6
|
|
N04
|
B:I6M509
|
4.9
|
35.3
|
0.4
|
|
N
|
B:SER375
|
4.9
|
32.1
|
1.0
|
|
OG1
|
B:THR257
|
4.9
|
28.3
|
1.0
|
|
O
|
B:GLU370
|
5.0
|
34.6
|
1.0
|
|
Fluorine binding site 5 out
of 8 in 7tjp
Go back to
Fluorine Binding Sites List in 7tjp
Fluorine binding site 5 out
of 8 in the Hiv-1 GP120 Complex with Cjf-II-195
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Hiv-1 GP120 Complex with Cjf-II-195 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F509
b:35.7
occ:0.53
|
F11
|
D:I6M509
|
0.0
|
35.7
|
0.5
|
|
F11
|
D:I6M509
|
0.1
|
35.8
|
0.5
|
|
C10
|
D:I6M509
|
1.4
|
30.9
|
0.5
|
|
C10
|
D:I6M509
|
1.4
|
30.6
|
0.5
|
|
C08
|
D:I6M509
|
2.3
|
32.4
|
0.5
|
|
C08
|
D:I6M509
|
2.3
|
32.3
|
0.5
|
|
C12
|
D:I6M509
|
2.4
|
34.4
|
0.5
|
|
C12
|
D:I6M509
|
2.4
|
34.3
|
0.5
|
|
CL09
|
D:I6M509
|
2.9
|
40.9
|
0.5
|
|
CL09
|
D:I6M509
|
2.9
|
40.7
|
0.5
|
|
OG
|
D:SER375
|
3.0
|
33.3
|
1.0
|
|
O
|
D:SER375
|
3.1
|
35.3
|
1.0
|
|
CA
|
D:SER256
|
3.5
|
30.8
|
1.0
|
|
CG2
|
D:THR257
|
3.5
|
27.5
|
1.0
|
|
C
|
D:SER375
|
3.5
|
36.2
|
1.0
|
|
C07
|
D:I6M509
|
3.6
|
32.2
|
0.5
|
|
C07
|
D:I6M509
|
3.6
|
32.0
|
0.5
|
|
C05
|
D:I6M509
|
3.6
|
36.2
|
0.5
|
|
CE
|
D:MET475
|
3.6
|
24.5
|
1.0
|
|
C05
|
D:I6M509
|
3.7
|
36.1
|
0.5
|
|
CG1
|
D:VAL255
|
3.8
|
33.2
|
1.0
|
|
CB
|
D:SER375
|
3.8
|
33.1
|
1.0
|
|
C
|
D:SER256
|
3.8
|
31.2
|
1.0
|
|
N
|
D:SER256
|
3.9
|
31.2
|
1.0
|
|
N
|
D:PHE376
|
3.9
|
34.7
|
1.0
|
|
N
|
D:THR257
|
3.9
|
27.7
|
1.0
|
|
O
|
D:VAL255
|
4.1
|
44.3
|
1.0
|
|
C06
|
D:I6M509
|
4.1
|
35.2
|
0.5
|
|
CA
|
D:PHE376
|
4.1
|
36.0
|
1.0
|
|
C06
|
D:I6M509
|
4.1
|
35.2
|
0.5
|
|
C
|
D:VAL255
|
4.2
|
34.1
|
1.0
|
|
CA
|
D:SER375
|
4.3
|
37.3
|
1.0
|
|
O
|
D:SER256
|
4.5
|
23.3
|
1.0
|
|
O13
|
D:I6M509
|
4.6
|
34.9
|
0.5
|
|
CB
|
D:SER256
|
4.7
|
24.8
|
1.0
|
|
O13
|
D:I6M509
|
4.7
|
34.7
|
0.5
|
|
CB
|
D:THR257
|
4.7
|
23.6
|
1.0
|
|
N04
|
D:I6M509
|
4.9
|
34.5
|
0.5
|
|
N04
|
D:I6M509
|
4.9
|
34.4
|
0.5
|
|
CA
|
D:THR257
|
4.9
|
26.4
|
1.0
|
|
CB
|
D:VAL255
|
5.0
|
19.5
|
1.0
|
|
Fluorine binding site 6 out
of 8 in 7tjp
Go back to
Fluorine Binding Sites List in 7tjp
Fluorine binding site 6 out
of 8 in the Hiv-1 GP120 Complex with Cjf-II-195
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Hiv-1 GP120 Complex with Cjf-II-195 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F509
b:35.8
occ:0.47
|
F11
|
D:I6M509
|
0.0
|
35.8
|
0.5
|
|
F11
|
D:I6M509
|
0.1
|
35.7
|
0.5
|
|
C10
|
D:I6M509
|
1.3
|
30.9
|
0.5
|
|
C10
|
D:I6M509
|
1.4
|
30.6
|
0.5
|
|
C08
|
D:I6M509
|
2.3
|
32.4
|
0.5
|
|
C08
|
D:I6M509
|
2.3
|
32.3
|
0.5
|
|
C12
|
D:I6M509
|
2.4
|
34.4
|
0.5
|
|
C12
|
D:I6M509
|
2.4
|
34.3
|
0.5
|
|
CL09
|
D:I6M509
|
2.9
|
40.9
|
0.5
|
|
OG
|
D:SER375
|
2.9
|
33.3
|
1.0
|
|
CL09
|
D:I6M509
|
2.9
|
40.7
|
0.5
|
|
O
|
D:SER375
|
3.1
|
35.3
|
1.0
|
|
CG2
|
D:THR257
|
3.5
|
27.5
|
1.0
|
|
CA
|
D:SER256
|
3.5
|
30.8
|
1.0
|
|
C
|
D:SER375
|
3.5
|
36.2
|
1.0
|
|
C07
|
D:I6M509
|
3.6
|
32.2
|
0.5
|
|
C07
|
D:I6M509
|
3.6
|
32.0
|
0.5
|
|
C05
|
D:I6M509
|
3.6
|
36.2
|
0.5
|
|
C05
|
D:I6M509
|
3.6
|
36.1
|
0.5
|
|
CE
|
D:MET475
|
3.7
|
24.5
|
1.0
|
|
CB
|
D:SER375
|
3.7
|
33.1
|
1.0
|
|
C
|
D:SER256
|
3.8
|
31.2
|
1.0
|
|
CG1
|
D:VAL255
|
3.8
|
33.2
|
1.0
|
|
N
|
D:PHE376
|
3.9
|
34.7
|
1.0
|
|
N
|
D:THR257
|
3.9
|
27.7
|
1.0
|
|
N
|
D:SER256
|
4.0
|
31.2
|
1.0
|
|
C06
|
D:I6M509
|
4.1
|
35.2
|
0.5
|
|
C06
|
D:I6M509
|
4.1
|
35.2
|
0.5
|
|
CA
|
D:PHE376
|
4.1
|
36.0
|
1.0
|
|
O
|
D:VAL255
|
4.1
|
44.3
|
1.0
|
|
C
|
D:VAL255
|
4.2
|
34.1
|
1.0
|
|
CA
|
D:SER375
|
4.2
|
37.3
|
1.0
|
|
O
|
D:SER256
|
4.6
|
23.3
|
1.0
|
|
O13
|
D:I6M509
|
4.6
|
34.9
|
0.5
|
|
O13
|
D:I6M509
|
4.6
|
34.7
|
0.5
|
|
CB
|
D:SER256
|
4.7
|
24.8
|
1.0
|
|
CB
|
D:THR257
|
4.7
|
23.6
|
1.0
|
|
N04
|
D:I6M509
|
4.9
|
34.5
|
0.5
|
|
N04
|
D:I6M509
|
4.9
|
34.4
|
0.5
|
|
CA
|
D:THR257
|
4.9
|
26.4
|
1.0
|
|
N
|
D:SER375
|
5.0
|
30.9
|
1.0
|
|
Fluorine binding site 7 out
of 8 in 7tjp
Go back to
Fluorine Binding Sites List in 7tjp
Fluorine binding site 7 out
of 8 in the Hiv-1 GP120 Complex with Cjf-II-195
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Hiv-1 GP120 Complex with Cjf-II-195 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F509
b:34.4
occ:0.32
|
F11
|
C:I6M509
|
0.0
|
34.4
|
0.3
|
|
F11
|
C:I6M509
|
0.1
|
34.0
|
0.7
|
|
C10
|
C:I6M509
|
1.4
|
26.2
|
0.3
|
|
C10
|
C:I6M509
|
1.4
|
25.6
|
0.7
|
|
C08
|
C:I6M509
|
2.4
|
24.1
|
0.3
|
|
C12
|
C:I6M509
|
2.4
|
28.4
|
0.3
|
|
C12
|
C:I6M509
|
2.4
|
24.1
|
0.7
|
|
C08
|
C:I6M509
|
2.4
|
24.3
|
0.7
|
|
CL09
|
C:I6M509
|
2.9
|
33.1
|
0.3
|
|
CL09
|
C:I6M509
|
3.0
|
32.0
|
0.7
|
|
OG
|
C:SER375
|
3.1
|
29.9
|
1.0
|
|
O
|
C:SER375
|
3.2
|
29.3
|
1.0
|
|
CA
|
C:SER256
|
3.2
|
22.8
|
1.0
|
|
CG2
|
C:THR257
|
3.4
|
17.1
|
1.0
|
|
CE
|
C:MET475
|
3.4
|
22.8
|
1.0
|
|
C
|
C:SER256
|
3.6
|
22.1
|
1.0
|
|
C05
|
C:I6M509
|
3.6
|
25.4
|
0.3
|
|
C05
|
C:I6M509
|
3.6
|
24.9
|
0.7
|
|
C07
|
C:I6M509
|
3.6
|
23.5
|
0.3
|
|
C
|
C:SER375
|
3.7
|
26.1
|
1.0
|
|
N
|
C:SER256
|
3.7
|
28.8
|
1.0
|
|
CG1
|
C:VAL255
|
3.7
|
34.9
|
1.0
|
|
C07
|
C:I6M509
|
3.7
|
23.5
|
0.7
|
|
N
|
C:THR257
|
3.7
|
21.4
|
1.0
|
|
O
|
C:VAL255
|
4.0
|
34.6
|
1.0
|
|
CB
|
C:SER375
|
4.0
|
28.6
|
1.0
|
|
C
|
C:VAL255
|
4.0
|
35.4
|
1.0
|
|
C06
|
C:I6M509
|
4.1
|
27.2
|
0.3
|
|
N
|
C:PHE376
|
4.1
|
25.5
|
1.0
|
|
C06
|
C:I6M509
|
4.1
|
26.5
|
0.7
|
|
CA
|
C:PHE376
|
4.2
|
27.8
|
1.0
|
|
O
|
C:SER256
|
4.3
|
24.1
|
1.0
|
|
CA
|
C:SER375
|
4.4
|
26.2
|
1.0
|
|
CB
|
C:SER256
|
4.5
|
31.3
|
1.0
|
|
CB
|
C:THR257
|
4.6
|
20.5
|
1.0
|
|
O13
|
C:I6M509
|
4.7
|
25.6
|
0.7
|
|
O13
|
C:I6M509
|
4.7
|
25.9
|
0.3
|
|
CA
|
C:THR257
|
4.7
|
26.4
|
1.0
|
|
N04
|
C:I6M509
|
4.8
|
25.2
|
0.3
|
|
N04
|
C:I6M509
|
4.9
|
25.0
|
0.7
|
|
CB
|
C:VAL255
|
4.9
|
29.0
|
1.0
|
|
SD
|
C:MET475
|
4.9
|
25.8
|
1.0
|
|
Fluorine binding site 8 out
of 8 in 7tjp
Go back to
Fluorine Binding Sites List in 7tjp
Fluorine binding site 8 out
of 8 in the Hiv-1 GP120 Complex with Cjf-II-195
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Hiv-1 GP120 Complex with Cjf-II-195 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F509
b:34.0
occ:0.68
|
F11
|
C:I6M509
|
0.0
|
34.0
|
0.7
|
|
F11
|
C:I6M509
|
0.1
|
34.4
|
0.3
|
|
C10
|
C:I6M509
|
1.3
|
26.2
|
0.3
|
|
C10
|
C:I6M509
|
1.4
|
25.6
|
0.7
|
|
C08
|
C:I6M509
|
2.3
|
24.1
|
0.3
|
|
C12
|
C:I6M509
|
2.3
|
28.4
|
0.3
|
|
C08
|
C:I6M509
|
2.3
|
24.3
|
0.7
|
|
C12
|
C:I6M509
|
2.4
|
24.1
|
0.7
|
|
CL09
|
C:I6M509
|
2.9
|
33.1
|
0.3
|
|
CL09
|
C:I6M509
|
2.9
|
32.0
|
0.7
|
|
OG
|
C:SER375
|
3.1
|
29.9
|
1.0
|
|
O
|
C:SER375
|
3.2
|
29.3
|
1.0
|
|
CA
|
C:SER256
|
3.3
|
22.8
|
1.0
|
|
CE
|
C:MET475
|
3.4
|
22.8
|
1.0
|
|
CG2
|
C:THR257
|
3.5
|
17.1
|
1.0
|
|
C07
|
C:I6M509
|
3.5
|
23.5
|
0.3
|
|
C05
|
C:I6M509
|
3.5
|
25.4
|
0.3
|
|
C05
|
C:I6M509
|
3.6
|
24.9
|
0.7
|
|
C07
|
C:I6M509
|
3.6
|
23.5
|
0.7
|
|
CG1
|
C:VAL255
|
3.6
|
34.9
|
1.0
|
|
C
|
C:SER256
|
3.6
|
22.1
|
1.0
|
|
C
|
C:SER375
|
3.7
|
26.1
|
1.0
|
|
N
|
C:SER256
|
3.7
|
28.8
|
1.0
|
|
N
|
C:THR257
|
3.8
|
21.4
|
1.0
|
|
O
|
C:VAL255
|
4.0
|
34.6
|
1.0
|
|
C06
|
C:I6M509
|
4.0
|
27.2
|
0.3
|
|
C
|
C:VAL255
|
4.0
|
35.4
|
1.0
|
|
C06
|
C:I6M509
|
4.0
|
26.5
|
0.7
|
|
CB
|
C:SER375
|
4.0
|
28.6
|
1.0
|
|
N
|
C:PHE376
|
4.1
|
25.5
|
1.0
|
|
CA
|
C:PHE376
|
4.2
|
27.8
|
1.0
|
|
O
|
C:SER256
|
4.3
|
24.1
|
1.0
|
|
CA
|
C:SER375
|
4.5
|
26.2
|
1.0
|
|
CB
|
C:SER256
|
4.6
|
31.3
|
1.0
|
|
CB
|
C:THR257
|
4.7
|
20.5
|
1.0
|
|
O13
|
C:I6M509
|
4.7
|
25.9
|
0.3
|
|
O13
|
C:I6M509
|
4.7
|
25.6
|
0.7
|
|
N04
|
C:I6M509
|
4.8
|
25.2
|
0.3
|
|
N04
|
C:I6M509
|
4.8
|
25.0
|
0.7
|
|
CA
|
C:THR257
|
4.8
|
26.4
|
1.0
|
|
CB
|
C:VAL255
|
4.8
|
29.0
|
1.0
|
|
SD
|
C:MET475
|
4.9
|
25.8
|
1.0
|
|
CA
|
C:VAL255
|
5.0
|
31.7
|
1.0
|
|
Reference:
C.Chaplain,
C.J.Fritschi,
S.Anang,
Z.Gong,
J.Richard,
C.Bourassa,
S.Liang,
M.Mohammadi,
J.Park,
A.Finzi,
N.Madani,
J.G.Sodroski,
C.F.Abrams,
W.A.Hendrickson,
A.B.Smith.
Structural and Functional Characterization of Indane-Core CD4-Mimetic Compounds Substituted with Heterocyclic Amines Acs Medicinal Chemistry V. 14 51 2023LETTERS.
ISSN: ISSN 1948-5875
DOI: 10.1021/ACSMEDCHEMLETT.2C00376
Page generated: Fri Aug 2 13:29:52 2024
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