Fluorine in PDB 7mmg: Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58
Enzymatic activity of Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58
All present enzymatic activity of Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58:
3.4.21.98;
Protein crystallography data
The structure of Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58, PDB code: 7mmg
was solved by
J.Zephyr,
C.A.Schiffer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
42.51 /
1.95
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
39.854,
50.987,
77.068,
90,
92.84,
90
|
R / Rfree (%)
|
19.9 /
24.8
|
Other elements in 7mmg:
The structure of Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58 also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58
(pdb code 7mmg). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the
Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58, PDB code: 7mmg:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 7mmg
Go back to
Fluorine Binding Sites List in 7mmg
Fluorine binding site 1 out
of 6 in the Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58
![](/pictures/F/pdb/mm/7mmg-F-sphere_01.jpg) Mono view
![](/pictures/F/pdb/mm/7mmg-F-sphere_01_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1202
b:26.2
occ:0.96
|
F55
|
A:ZK71202
|
0.0
|
26.2
|
1.0
|
C51
|
A:ZK71202
|
1.4
|
23.4
|
1.0
|
F56
|
A:ZK71202
|
2.2
|
27.2
|
1.0
|
F57
|
A:ZK71202
|
2.2
|
27.9
|
1.0
|
C17
|
A:ZK71202
|
2.3
|
20.3
|
1.0
|
H541
|
A:ZK71202
|
2.7
|
25.3
|
1.0
|
O15
|
A:ZK71202
|
2.8
|
17.7
|
1.0
|
HG22
|
A:VAL1158
|
2.8
|
34.6
|
1.0
|
C54
|
A:ZK71202
|
3.0
|
21.0
|
1.0
|
HH21
|
A:ARG1123
|
3.3
|
33.9
|
0.4
|
H542
|
A:ZK71202
|
3.5
|
25.3
|
1.0
|
C52
|
A:ZK71202
|
3.7
|
18.7
|
1.0
|
CG2
|
A:VAL1158
|
3.7
|
28.8
|
1.0
|
HH22
|
A:ARG1123
|
3.7
|
33.9
|
0.4
|
NH2
|
A:ARG1123
|
3.7
|
28.1
|
0.4
|
H522
|
A:ZK71202
|
3.8
|
22.5
|
1.0
|
C53
|
A:ZK71202
|
4.0
|
23.9
|
1.0
|
HG21
|
A:VAL1158
|
4.1
|
34.6
|
1.0
|
HG23
|
A:VAL1158
|
4.1
|
34.6
|
1.0
|
C14
|
A:ZK71202
|
4.1
|
16.5
|
1.0
|
HG13
|
A:VAL1158
|
4.1
|
36.2
|
1.0
|
HA
|
A:VAL1158
|
4.1
|
27.7
|
1.0
|
H532
|
A:ZK71202
|
4.2
|
28.8
|
1.0
|
HH22
|
A:ARG1123
|
4.3
|
32.4
|
0.6
|
H521
|
A:ZK71202
|
4.4
|
22.5
|
1.0
|
CB
|
A:VAL1158
|
4.6
|
25.6
|
1.0
|
NH2
|
A:ARG1123
|
4.6
|
26.9
|
0.6
|
H131
|
A:ZK71202
|
4.7
|
18.5
|
1.0
|
CZ
|
A:ARG1123
|
4.7
|
29.1
|
0.4
|
CA
|
A:VAL1158
|
4.8
|
23.0
|
1.0
|
CG1
|
A:VAL1158
|
4.8
|
30.1
|
1.0
|
O16
|
A:ZK71202
|
4.8
|
16.9
|
1.0
|
H531
|
A:ZK71202
|
4.9
|
28.8
|
1.0
|
HE
|
A:ARG1123
|
4.9
|
27.4
|
0.4
|
N13
|
A:ZK71202
|
4.9
|
15.8
|
1.0
|
HH21
|
A:ARG1123
|
4.9
|
32.4
|
0.6
|
HH12
|
A:ARG1123
|
4.9
|
37.2
|
0.6
|
O
|
A:ALA1157
|
5.0
|
17.6
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 7mmg
Go back to
Fluorine Binding Sites List in 7mmg
Fluorine binding site 2 out
of 6 in the Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58
![](/pictures/F/pdb/mm/7mmg-F-sphere_02.jpg) Mono view
![](/pictures/F/pdb/mm/7mmg-F-sphere_02_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1202
b:27.2
occ:0.96
|
F56
|
A:ZK71202
|
0.0
|
27.2
|
1.0
|
C51
|
A:ZK71202
|
1.4
|
23.4
|
1.0
|
F55
|
A:ZK71202
|
2.2
|
26.2
|
1.0
|
C17
|
A:ZK71202
|
2.2
|
20.3
|
1.0
|
F57
|
A:ZK71202
|
2.3
|
27.9
|
1.0
|
O15
|
A:ZK71202
|
2.6
|
17.7
|
1.0
|
H522
|
A:ZK71202
|
2.7
|
22.5
|
1.0
|
C52
|
A:ZK71202
|
2.9
|
18.7
|
1.0
|
HG22
|
A:VAL1158
|
3.0
|
34.6
|
1.0
|
HH21
|
A:ARG1123
|
3.3
|
33.9
|
0.4
|
HB3
|
A:ALA1156
|
3.4
|
16.7
|
1.0
|
H521
|
A:ZK71202
|
3.4
|
22.5
|
1.0
|
HG23
|
A:VAL1158
|
3.5
|
34.6
|
1.0
|
C54
|
A:ZK71202
|
3.6
|
21.0
|
1.0
|
CG2
|
A:VAL1158
|
3.7
|
28.8
|
1.0
|
HE
|
A:ARG1123
|
3.8
|
27.4
|
0.4
|
HB1
|
A:ALA1156
|
3.8
|
16.7
|
1.0
|
H541
|
A:ZK71202
|
3.8
|
25.3
|
1.0
|
NH2
|
A:ARG1123
|
3.9
|
28.1
|
0.4
|
C14
|
A:ZK71202
|
3.9
|
16.5
|
1.0
|
CB
|
A:ALA1168
|
4.0
|
18.3
|
1.0
|
C53
|
A:ZK71202
|
4.0
|
23.9
|
1.0
|
CB
|
A:ALA1156
|
4.0
|
14.3
|
1.0
|
HG21
|
A:VAL1158
|
4.1
|
34.6
|
1.0
|
NH2
|
A:ARG1123
|
4.2
|
26.9
|
0.6
|
HH21
|
A:ARG1123
|
4.2
|
32.4
|
0.6
|
HH22
|
A:ARG1123
|
4.3
|
32.4
|
0.6
|
H532
|
A:ZK71202
|
4.3
|
28.8
|
1.0
|
H542
|
A:ZK71202
|
4.3
|
25.3
|
1.0
|
NE
|
A:ARG1123
|
4.3
|
22.8
|
0.4
|
HH22
|
A:ARG1123
|
4.3
|
33.9
|
0.4
|
CZ
|
A:ARG1123
|
4.4
|
29.1
|
0.4
|
CZ
|
A:ARG1123
|
4.5
|
22.8
|
0.6
|
HA
|
A:VAL1158
|
4.5
|
27.7
|
1.0
|
C
|
A:ALA1157
|
4.5
|
16.2
|
1.0
|
O
|
A:ALA1157
|
4.6
|
17.6
|
1.0
|
O16
|
A:ZK71202
|
4.6
|
16.9
|
1.0
|
H131
|
A:ZK71202
|
4.6
|
18.5
|
1.0
|
N
|
A:VAL1158
|
4.6
|
19.4
|
1.0
|
C
|
A:ALA1156
|
4.7
|
18.9
|
1.0
|
HB2
|
A:ALA1156
|
4.7
|
16.7
|
1.0
|
N
|
A:ALA1157
|
4.7
|
14.2
|
1.0
|
N13
|
A:ZK71202
|
4.7
|
15.8
|
1.0
|
NE
|
A:ARG1123
|
4.8
|
25.5
|
0.6
|
H531
|
A:ZK71202
|
4.8
|
28.8
|
1.0
|
O
|
A:ALA1156
|
4.9
|
14.0
|
1.0
|
HE
|
A:ARG1123
|
4.9
|
30.7
|
0.6
|
CB
|
A:VAL1158
|
4.9
|
25.6
|
1.0
|
H
|
A:ALA1157
|
4.9
|
16.6
|
1.0
|
CA
|
A:VAL1158
|
4.9
|
23.0
|
1.0
|
H
|
A:VAL1158
|
4.9
|
23.4
|
1.0
|
NH1
|
A:ARG1123
|
4.9
|
30.9
|
0.6
|
HA
|
A:ALA1157
|
5.0
|
17.6
|
1.0
|
H
|
A:ALA1168
|
5.0
|
17.0
|
1.0
|
|
Fluorine binding site 3 out
of 6 in 7mmg
Go back to
Fluorine Binding Sites List in 7mmg
Fluorine binding site 3 out
of 6 in the Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58
![](/pictures/F/pdb/mm/7mmg-F-sphere_03.jpg) Mono view
![](/pictures/F/pdb/mm/7mmg-F-sphere_03_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1202
b:27.9
occ:0.96
|
F57
|
A:ZK71202
|
0.0
|
27.9
|
1.0
|
C51
|
A:ZK71202
|
1.4
|
23.4
|
1.0
|
F55
|
A:ZK71202
|
2.2
|
26.2
|
1.0
|
F56
|
A:ZK71202
|
2.3
|
27.2
|
1.0
|
C17
|
A:ZK71202
|
2.3
|
20.3
|
1.0
|
H522
|
A:ZK71202
|
2.5
|
22.5
|
1.0
|
H541
|
A:ZK71202
|
2.5
|
25.3
|
1.0
|
C52
|
A:ZK71202
|
2.8
|
18.7
|
1.0
|
C54
|
A:ZK71202
|
2.8
|
21.0
|
1.0
|
H532
|
A:ZK71202
|
2.8
|
28.8
|
1.0
|
HH21
|
A:ARG1123
|
2.8
|
33.9
|
0.4
|
C53
|
A:ZK71202
|
3.0
|
23.9
|
1.0
|
HH22
|
A:ARG1123
|
3.1
|
32.4
|
0.6
|
HH21
|
A:ARG1123
|
3.3
|
32.4
|
0.6
|
NH2
|
A:ARG1123
|
3.4
|
26.9
|
0.6
|
O15
|
A:ZK71202
|
3.5
|
17.7
|
1.0
|
NH2
|
A:ARG1123
|
3.6
|
28.1
|
0.4
|
H521
|
A:ZK71202
|
3.7
|
22.5
|
1.0
|
H542
|
A:ZK71202
|
3.7
|
25.3
|
1.0
|
HH22
|
A:ARG1123
|
3.8
|
33.9
|
0.4
|
H531
|
A:ZK71202
|
4.0
|
28.8
|
1.0
|
HE
|
A:ARG1123
|
4.2
|
27.4
|
0.4
|
CZ
|
A:ARG1123
|
4.3
|
22.8
|
0.6
|
HG22
|
A:VAL1158
|
4.3
|
34.6
|
1.0
|
CZ
|
A:ARG1123
|
4.6
|
29.1
|
0.4
|
HH12
|
A:ARG1123
|
4.7
|
37.2
|
0.6
|
C14
|
A:ZK71202
|
4.8
|
16.5
|
1.0
|
NE
|
A:ARG1123
|
4.8
|
22.8
|
0.4
|
HH12
|
A:ARG1155
|
4.8
|
45.2
|
1.0
|
NH1
|
A:ARG1123
|
4.8
|
30.9
|
0.6
|
HB3
|
A:ALA1156
|
4.9
|
16.7
|
1.0
|
HH11
|
A:ARG1155
|
4.9
|
45.2
|
1.0
|
HE
|
A:ARG1123
|
5.0
|
30.7
|
0.6
|
|
Fluorine binding site 4 out
of 6 in 7mmg
Go back to
Fluorine Binding Sites List in 7mmg
Fluorine binding site 4 out
of 6 in the Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58
![](/pictures/F/pdb/mm/7mmg-F-sphere_04.jpg) Mono view
![](/pictures/F/pdb/mm/7mmg-F-sphere_04_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1301
b:29.7
occ:0.94
|
F55
|
B:ZK71301
|
0.0
|
29.7
|
0.9
|
C51
|
B:ZK71301
|
1.4
|
27.5
|
0.9
|
F57
|
B:ZK71301
|
2.2
|
28.1
|
0.9
|
F56
|
B:ZK71301
|
2.3
|
26.6
|
0.9
|
C17
|
B:ZK71301
|
2.3
|
23.6
|
0.9
|
HG22
|
B:VAL1158
|
2.4
|
32.5
|
1.0
|
O15
|
B:ZK71301
|
2.5
|
19.1
|
0.9
|
H541
|
B:ZK71301
|
2.9
|
26.4
|
0.9
|
C54
|
B:ZK71301
|
3.1
|
22.0
|
0.9
|
CG2
|
B:VAL1158
|
3.3
|
27.0
|
1.0
|
HA
|
B:VAL1158
|
3.3
|
27.0
|
1.0
|
HG13
|
B:VAL1158
|
3.6
|
32.9
|
1.0
|
H542
|
B:ZK71301
|
3.6
|
26.4
|
0.9
|
C52
|
B:ZK71301
|
3.6
|
17.4
|
0.9
|
HG21
|
B:VAL1158
|
3.7
|
32.5
|
1.0
|
H521
|
B:ZK71301
|
3.8
|
20.9
|
0.9
|
HG23
|
B:VAL1158
|
3.9
|
32.5
|
1.0
|
C14
|
B:ZK71301
|
3.9
|
20.0
|
0.9
|
CB
|
B:VAL1158
|
4.0
|
19.6
|
1.0
|
CA
|
B:VAL1158
|
4.1
|
22.5
|
1.0
|
C53
|
B:ZK71301
|
4.1
|
23.7
|
0.9
|
CG1
|
B:VAL1158
|
4.2
|
27.3
|
1.0
|
H522
|
B:ZK71301
|
4.3
|
20.9
|
0.9
|
HG11
|
B:VAL1158
|
4.3
|
32.9
|
1.0
|
O
|
B:HOH1435
|
4.4
|
19.1
|
1.0
|
H532
|
B:ZK71301
|
4.4
|
28.5
|
0.9
|
H131
|
B:ZK71301
|
4.4
|
20.6
|
0.9
|
HH22
|
B:ARG1123
|
4.5
|
32.6
|
1.0
|
O
|
B:ALA1157
|
4.6
|
19.8
|
1.0
|
N
|
B:VAL1158
|
4.6
|
24.5
|
1.0
|
O16
|
B:ZK71301
|
4.7
|
19.6
|
0.9
|
N13
|
B:ZK71301
|
4.7
|
17.1
|
0.9
|
HE
|
B:ARG1123
|
4.9
|
23.7
|
1.0
|
C
|
B:ALA1157
|
4.9
|
17.2
|
1.0
|
H531
|
B:ZK71301
|
4.9
|
28.5
|
0.9
|
H
|
B:SER1159
|
5.0
|
36.2
|
1.0
|
HB
|
B:VAL1158
|
5.0
|
23.6
|
1.0
|
NH2
|
B:ARG1123
|
5.0
|
27.1
|
1.0
|
|
Fluorine binding site 5 out
of 6 in 7mmg
Go back to
Fluorine Binding Sites List in 7mmg
Fluorine binding site 5 out
of 6 in the Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58
![](/pictures/F/pdb/mm/7mmg-F-sphere_05.jpg) Mono view
![](/pictures/F/pdb/mm/7mmg-F-sphere_05_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1301
b:26.6
occ:0.94
|
F56
|
B:ZK71301
|
0.0
|
26.6
|
0.9
|
C51
|
B:ZK71301
|
1.4
|
27.5
|
0.9
|
F55
|
B:ZK71301
|
2.3
|
29.7
|
0.9
|
C17
|
B:ZK71301
|
2.3
|
23.6
|
0.9
|
F57
|
B:ZK71301
|
2.3
|
28.1
|
0.9
|
H541
|
B:ZK71301
|
2.4
|
26.4
|
0.9
|
H521
|
B:ZK71301
|
2.5
|
20.9
|
0.9
|
C54
|
B:ZK71301
|
2.7
|
22.0
|
0.9
|
C52
|
B:ZK71301
|
2.7
|
17.4
|
0.9
|
H532
|
B:ZK71301
|
2.8
|
28.5
|
0.9
|
C53
|
B:ZK71301
|
3.0
|
23.7
|
0.9
|
HH22
|
B:ARG1123
|
3.1
|
32.6
|
1.0
|
O
|
B:HOH1435
|
3.3
|
19.1
|
1.0
|
NH2
|
B:ARG1123
|
3.4
|
27.1
|
1.0
|
O15
|
B:ZK71301
|
3.5
|
19.1
|
0.9
|
HH21
|
B:ARG1123
|
3.5
|
32.6
|
1.0
|
H542
|
B:ZK71301
|
3.6
|
26.4
|
0.9
|
H522
|
B:ZK71301
|
3.7
|
20.9
|
0.9
|
HG22
|
B:VAL1158
|
3.9
|
32.5
|
1.0
|
H531
|
B:ZK71301
|
3.9
|
28.5
|
0.9
|
HH12
|
B:ARG1155
|
4.2
|
29.8
|
1.0
|
CZ
|
B:ARG1123
|
4.3
|
28.1
|
1.0
|
HE
|
B:ARG1123
|
4.4
|
23.7
|
1.0
|
CG2
|
B:VAL1158
|
4.7
|
27.0
|
1.0
|
C14
|
B:ZK71301
|
4.7
|
20.0
|
0.9
|
NE
|
B:ARG1123
|
4.7
|
19.6
|
1.0
|
HG21
|
B:VAL1158
|
4.7
|
32.5
|
1.0
|
HB3
|
B:ALA1156
|
4.8
|
16.5
|
1.0
|
NH1
|
B:ARG1155
|
4.8
|
24.7
|
1.0
|
CB
|
B:ALA1168
|
4.9
|
29.4
|
1.0
|
HH11
|
B:ARG1155
|
4.9
|
29.8
|
1.0
|
O16
|
B:ZK71301
|
5.0
|
19.6
|
0.9
|
|
Fluorine binding site 6 out
of 6 in 7mmg
Go back to
Fluorine Binding Sites List in 7mmg
Fluorine binding site 6 out
of 6 in the Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58
![](/pictures/F/pdb/mm/7mmg-F-sphere_06.jpg) Mono view
![](/pictures/F/pdb/mm/7mmg-F-sphere_06_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Crystal Structure of Hcv NS3/4A D168A Protease in Complex with NR02-58 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1301
b:28.1
occ:0.94
|
F57
|
B:ZK71301
|
0.0
|
28.1
|
0.9
|
C51
|
B:ZK71301
|
1.4
|
27.5
|
0.9
|
F55
|
B:ZK71301
|
2.2
|
29.7
|
0.9
|
C17
|
B:ZK71301
|
2.3
|
23.6
|
0.9
|
F56
|
B:ZK71301
|
2.3
|
26.6
|
0.9
|
H521
|
B:ZK71301
|
2.5
|
20.9
|
0.9
|
HG22
|
B:VAL1158
|
2.6
|
32.5
|
1.0
|
C52
|
B:ZK71301
|
2.8
|
17.4
|
0.9
|
O15
|
B:ZK71301
|
2.8
|
19.1
|
0.9
|
HB3
|
B:ALA1156
|
3.2
|
16.5
|
1.0
|
H522
|
B:ZK71301
|
3.3
|
20.9
|
0.9
|
CG2
|
B:VAL1158
|
3.4
|
27.0
|
1.0
|
HG23
|
B:VAL1158
|
3.4
|
32.5
|
1.0
|
CB
|
B:ALA1168
|
3.5
|
29.4
|
1.0
|
C54
|
B:ZK71301
|
3.7
|
22.0
|
0.9
|
HB1
|
B:ALA1156
|
3.7
|
16.5
|
1.0
|
HG21
|
B:VAL1158
|
3.8
|
32.5
|
1.0
|
H541
|
B:ZK71301
|
3.9
|
26.4
|
0.9
|
CB
|
B:ALA1156
|
3.9
|
14.1
|
1.0
|
C53
|
B:ZK71301
|
3.9
|
23.7
|
0.9
|
C14
|
B:ZK71301
|
3.9
|
20.0
|
0.9
|
HA
|
B:VAL1158
|
4.1
|
27.0
|
1.0
|
HH22
|
B:ARG1123
|
4.1
|
32.6
|
1.0
|
H532
|
B:ZK71301
|
4.2
|
28.5
|
0.9
|
NH2
|
B:ARG1123
|
4.3
|
27.1
|
1.0
|
H542
|
B:ZK71301
|
4.3
|
26.4
|
0.9
|
N
|
B:VAL1158
|
4.4
|
24.5
|
1.0
|
HE
|
B:ARG1123
|
4.4
|
23.7
|
1.0
|
C
|
B:ALA1157
|
4.4
|
17.2
|
1.0
|
O
|
B:ALA1157
|
4.4
|
19.8
|
1.0
|
C
|
B:ALA1156
|
4.5
|
13.8
|
1.0
|
H131
|
B:ZK71301
|
4.5
|
20.6
|
0.9
|
CA
|
B:VAL1158
|
4.5
|
22.5
|
1.0
|
CZ
|
B:ARG1123
|
4.5
|
28.1
|
1.0
|
H
|
B:ALA1168
|
4.5
|
16.1
|
1.0
|
HH12
|
B:ARG1155
|
4.5
|
29.8
|
1.0
|
CB
|
B:VAL1158
|
4.5
|
19.6
|
1.0
|
HB2
|
B:ALA1156
|
4.6
|
16.5
|
1.0
|
HH21
|
B:ARG1123
|
4.6
|
32.6
|
1.0
|
NE
|
B:ARG1123
|
4.6
|
19.6
|
1.0
|
O16
|
B:ZK71301
|
4.6
|
19.6
|
0.9
|
O
|
B:ALA1156
|
4.6
|
13.7
|
1.0
|
H
|
B:VAL1158
|
4.7
|
29.5
|
1.0
|
N13
|
B:ZK71301
|
4.7
|
17.1
|
0.9
|
H531
|
B:ZK71301
|
4.7
|
28.5
|
0.9
|
CA
|
B:ALA1168
|
4.8
|
16.0
|
1.0
|
N
|
B:ALA1157
|
4.8
|
14.2
|
1.0
|
CA
|
B:ALA1156
|
4.8
|
13.7
|
1.0
|
N
|
B:ALA1168
|
4.8
|
13.8
|
1.0
|
NH1
|
B:ARG1155
|
4.9
|
24.7
|
1.0
|
O
|
B:HOH1435
|
5.0
|
19.1
|
1.0
|
|
Reference:
J.Zephyr,
D.Nageswara Rao,
S.V.Vo,
M.Henes,
K.Kosovrasti,
A.N.Matthew,
A.K.Hedger,
J.Timm,
E.T.Chan,
A.Ali,
N.Kurt Yilmaz,
C.A.Schiffer.
Deciphering the Molecular Mechanism of Hcv Protease Inhibitor Fluorination As A General Approach to Avoid Drug Resistance. J.Mol.Biol. V. 434 67503 2022.
ISSN: ESSN 1089-8638
PubMed: 35183560
DOI: 10.1016/J.JMB.2022.167503
Page generated: Fri Aug 2 09:40:51 2024
|