Fluorine in PDB 5srh: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z5265470867 - Pyrimido-Indole Core Only
Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z5265470867 - Pyrimido-Indole Core Only
All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z5265470867 - Pyrimido-Indole Core Only:
3.4.19.121;
Protein crystallography data
The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z5265470867 - Pyrimido-Indole Core Only, PDB code: 5srh
was solved by
G.J.Correy,
J.S.Fraser,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
39.72 /
1.05
|
|
Space group
|
P 43
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
88.815,
88.815,
39.433,
90,
90,
90
|
|
R / Rfree (%)
|
14.4 /
16.1
|
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z5265470867 - Pyrimido-Indole Core Only
(pdb code 5srh). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the
Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z5265470867 - Pyrimido-Indole Core Only, PDB code: 5srh:
Jump to Fluorine binding site number:
1;
2;
3;
4;
Fluorine binding site 1 out
of 4 in 5srh
Go back to
Fluorine Binding Sites List in 5srh
Fluorine binding site 1 out
of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z5265470867 - Pyrimido-Indole Core Only
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z5265470867 - Pyrimido-Indole Core Only within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F301
b:17.0
occ:0.64
|
F1
|
A:TFA301
|
0.0
|
17.0
|
0.6
|
|
C2
|
A:TFA301
|
1.4
|
14.9
|
0.6
|
|
O
|
A:HOH642
|
1.4
|
29.9
|
0.4
|
|
F3
|
A:TFA301
|
2.2
|
18.0
|
0.6
|
|
F2
|
A:TFA301
|
2.2
|
15.6
|
0.6
|
|
C1
|
A:TFA301
|
2.3
|
12.8
|
0.6
|
|
HD21
|
A:LEU160
|
2.5
|
22.5
|
0.4
|
|
HB1
|
A:ALA129
|
2.7
|
10.4
|
0.4
|
|
HD23
|
A:LEU160
|
2.7
|
22.5
|
0.4
|
|
HD23
|
A:LEU160
|
2.7
|
19.2
|
0.6
|
|
HD21
|
A:LEU160
|
2.8
|
19.2
|
0.6
|
|
OXT
|
A:TFA301
|
2.8
|
12.8
|
0.6
|
|
HD12
|
A:LEU126
|
2.9
|
20.0
|
0.6
|
|
HB2
|
A:LEU126
|
3.0
|
17.4
|
0.6
|
|
CD2
|
A:LEU160
|
3.0
|
18.8
|
0.4
|
|
HD12
|
A:LEU126
|
3.1
|
14.5
|
0.4
|
|
HB1
|
A:ALA129
|
3.1
|
12.8
|
0.6
|
|
HB3
|
A:ALA129
|
3.2
|
10.4
|
0.4
|
|
CD2
|
A:LEU160
|
3.2
|
16.0
|
0.6
|
|
HB3
|
A:PRO136
|
3.2
|
15.5
|
0.4
|
|
HB3
|
A:ALA129
|
3.2
|
12.8
|
0.6
|
|
O
|
A:TFA301
|
3.3
|
13.4
|
0.6
|
|
CB
|
A:ALA129
|
3.3
|
8.7
|
0.4
|
|
HB2
|
A:LEU126
|
3.3
|
11.4
|
0.4
|
|
HD22
|
A:LEU160
|
3.3
|
22.5
|
0.4
|
|
HG13
|
A:VAL155
|
3.4
|
16.2
|
0.6
|
|
O
|
A:HOH513
|
3.5
|
10.8
|
0.4
|
|
HB2
|
A:ALA129
|
3.6
|
10.4
|
0.4
|
|
HD22
|
A:LEU160
|
3.6
|
19.2
|
0.6
|
|
CB
|
A:ALA129
|
3.6
|
10.6
|
0.6
|
|
HG13
|
A:VAL155
|
3.6
|
13.8
|
0.4
|
|
CD1
|
A:LEU126
|
3.7
|
16.6
|
0.6
|
|
HD13
|
A:LEU126
|
3.7
|
20.0
|
0.6
|
|
HB3
|
A:PRO136
|
3.7
|
14.8
|
0.6
|
|
O
|
A:HOH580
|
3.8
|
22.3
|
0.4
|
|
O
|
A:HOH567
|
3.8
|
17.8
|
0.4
|
|
CB
|
A:LEU126
|
3.8
|
14.5
|
0.6
|
|
O
|
A:HOH430
|
3.8
|
14.5
|
0.6
|
|
HB3
|
A:LEU126
|
3.9
|
17.4
|
0.6
|
|
O
|
A:HOH631
|
3.9
|
33.9
|
0.4
|
|
CD1
|
A:LEU126
|
4.0
|
12.1
|
0.4
|
|
CB
|
A:PRO136
|
4.0
|
12.9
|
0.4
|
|
HB2
|
A:PRO136
|
4.0
|
15.5
|
0.4
|
|
HB2
|
A:ALA129
|
4.0
|
12.8
|
0.6
|
|
H
|
A:GLY130
|
4.0
|
8.7
|
0.4
|
|
HD13
|
A:LEU126
|
4.1
|
14.5
|
0.4
|
|
H111
|
A:R9F303
|
4.2
|
19.0
|
0.6
|
|
H
|
A:GLY130
|
4.2
|
13.5
|
0.6
|
|
CB
|
A:LEU126
|
4.2
|
9.5
|
0.4
|
|
HD11
|
A:LEU164
|
4.3
|
15.0
|
0.6
|
|
HD11
|
A:LEU164
|
4.3
|
23.9
|
0.4
|
|
CG
|
A:LEU126
|
4.3
|
15.7
|
0.6
|
|
HG3
|
A:PRO136
|
4.3
|
16.5
|
0.4
|
|
HG22
|
A:VAL155
|
4.3
|
14.6
|
0.4
|
|
CG
|
A:LEU160
|
4.3
|
19.0
|
0.4
|
|
O
|
A:HOH421
|
4.4
|
14.4
|
0.6
|
|
CG1
|
A:VAL155
|
4.4
|
13.5
|
0.6
|
|
HG
|
A:LEU160
|
4.4
|
22.8
|
0.4
|
|
O
|
A:HOH583
|
4.4
|
26.0
|
0.4
|
|
HD11
|
A:LEU126
|
4.4
|
20.0
|
0.6
|
|
H
|
A:LEU126
|
4.4
|
15.3
|
0.6
|
|
HG
|
A:LEU160
|
4.5
|
18.5
|
0.6
|
|
CG1
|
A:VAL155
|
4.5
|
11.5
|
0.4
|
|
HB2
|
A:PRO136
|
4.5
|
14.8
|
0.6
|
|
CG
|
A:LEU160
|
4.5
|
15.4
|
0.6
|
|
HA
|
A:VAL155
|
4.5
|
14.5
|
0.6
|
|
HB3
|
A:LEU126
|
4.5
|
11.4
|
0.4
|
|
CB
|
A:PRO136
|
4.5
|
12.3
|
0.6
|
|
HG11
|
A:VAL155
|
4.5
|
13.8
|
0.4
|
|
HG
|
A:LEU126
|
4.5
|
18.9
|
0.6
|
|
N
|
A:GLY130
|
4.6
|
7.2
|
0.4
|
|
N
|
A:GLY130
|
4.6
|
11.3
|
0.6
|
|
H
|
A:LEU126
|
4.6
|
10.1
|
0.4
|
|
HG22
|
A:VAL155
|
4.6
|
16.4
|
0.6
|
|
HD11
|
A:LEU126
|
4.7
|
14.5
|
0.4
|
|
CG
|
A:LEU126
|
4.7
|
10.7
|
0.4
|
|
CA
|
A:ALA129
|
4.7
|
7.6
|
0.4
|
|
HA
|
A:VAL155
|
4.7
|
13.8
|
0.4
|
|
HG11
|
A:VAL155
|
4.7
|
16.2
|
0.6
|
|
H
|
A:PHE156
|
4.7
|
14.9
|
0.6
|
|
CG
|
A:PRO136
|
4.7
|
13.7
|
0.4
|
|
HG12
|
A:VAL155
|
4.8
|
16.2
|
0.6
|
|
HG
|
A:LEU126
|
4.8
|
12.8
|
0.4
|
|
HD11
|
A:LEU160
|
4.8
|
23.4
|
0.4
|
|
O
|
A:LEU126
|
4.9
|
11.7
|
0.6
|
|
O
|
A:HOH499
|
4.9
|
21.9
|
1.0
|
|
CA
|
A:ALA129
|
4.9
|
10.7
|
0.6
|
|
CA
|
A:LEU126
|
5.0
|
12.6
|
0.6
|
|
O
|
A:HOH470
|
5.0
|
17.4
|
0.6
|
|
HA
|
A:PRO136
|
5.0
|
15.7
|
0.4
|
|
Fluorine binding site 2 out
of 4 in 5srh
Go back to
Fluorine Binding Sites List in 5srh
Fluorine binding site 2 out
of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z5265470867 - Pyrimido-Indole Core Only
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z5265470867 - Pyrimido-Indole Core Only within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F301
b:15.6
occ:0.64
|
F2
|
A:TFA301
|
0.0
|
15.6
|
0.6
|
|
C2
|
A:TFA301
|
1.4
|
14.9
|
0.6
|
|
F3
|
A:TFA301
|
2.2
|
18.0
|
0.6
|
|
F1
|
A:TFA301
|
2.2
|
17.0
|
0.6
|
|
C1
|
A:TFA301
|
2.4
|
12.8
|
0.6
|
|
O
|
A:HOH642
|
2.5
|
29.9
|
0.4
|
|
O
|
A:HOH567
|
2.6
|
17.8
|
0.4
|
|
O
|
A:TFA301
|
2.7
|
13.4
|
0.6
|
|
H
|
A:GLY130
|
2.8
|
8.7
|
0.4
|
|
HD23
|
A:LEU160
|
2.9
|
19.2
|
0.6
|
|
HD22
|
A:LEU160
|
2.9
|
22.5
|
0.4
|
|
HB1
|
A:ALA129
|
3.0
|
10.4
|
0.4
|
|
O
|
A:HOH470
|
3.0
|
17.4
|
0.6
|
|
H
|
A:GLY130
|
3.0
|
13.5
|
0.6
|
|
HD23
|
A:LEU160
|
3.0
|
22.5
|
0.4
|
|
O
|
A:DMS302
|
3.0
|
22.7
|
0.6
|
|
HD22
|
A:LEU160
|
3.1
|
19.2
|
0.6
|
|
HD21
|
A:LEU160
|
3.2
|
22.5
|
0.4
|
|
O
|
A:HOH421
|
3.2
|
14.4
|
0.6
|
|
CD2
|
A:LEU160
|
3.2
|
18.8
|
0.4
|
|
O
|
A:HOH580
|
3.2
|
22.3
|
0.4
|
|
CD2
|
A:LEU160
|
3.3
|
16.0
|
0.6
|
|
HD21
|
A:LEU160
|
3.3
|
19.2
|
0.6
|
|
HB1
|
A:ALA129
|
3.4
|
12.8
|
0.6
|
|
HA2
|
A:GLY130
|
3.4
|
14.3
|
0.6
|
|
HA2
|
A:GLY130
|
3.4
|
8.9
|
0.4
|
|
N
|
A:GLY130
|
3.4
|
7.2
|
0.4
|
|
N
|
A:GLY130
|
3.4
|
11.3
|
0.6
|
|
HA3
|
A:GLY130
|
3.5
|
14.3
|
0.6
|
|
OXT
|
A:TFA301
|
3.5
|
12.8
|
0.6
|
|
CA
|
A:GLY130
|
3.7
|
11.9
|
0.6
|
|
O
|
A:HOH552
|
3.7
|
24.4
|
0.6
|
|
CA
|
A:GLY130
|
3.8
|
7.4
|
0.4
|
|
O
|
A:HOH631
|
3.8
|
33.9
|
0.4
|
|
CB
|
A:ALA129
|
3.8
|
8.7
|
0.4
|
|
HB3
|
A:ALA129
|
3.8
|
12.8
|
0.6
|
|
HB3
|
A:ALA129
|
3.9
|
10.4
|
0.4
|
|
HA3
|
A:GLY130
|
3.9
|
8.9
|
0.4
|
|
H111
|
A:R9F303
|
3.9
|
19.0
|
0.6
|
|
O
|
A:HOH635
|
4.0
|
21.0
|
0.4
|
|
CB
|
A:ALA129
|
4.0
|
10.6
|
0.6
|
|
O
|
A:HOH650
|
4.0
|
10.7
|
0.4
|
|
HB3
|
A:PRO136
|
4.1
|
15.5
|
0.4
|
|
HG3
|
A:PRO136
|
4.3
|
16.5
|
0.4
|
|
C
|
A:ALA129
|
4.3
|
11.9
|
0.6
|
|
HB3
|
A:PRO136
|
4.4
|
14.8
|
0.6
|
|
C
|
A:ALA129
|
4.4
|
7.2
|
0.4
|
|
O
|
A:HOH629
|
4.4
|
36.6
|
0.4
|
|
HB3
|
A:ASP157
|
4.5
|
16.2
|
0.6
|
|
HB2
|
A:ALA129
|
4.5
|
10.4
|
0.4
|
|
HB2
|
A:ASP157
|
4.5
|
16.2
|
0.6
|
|
S
|
A:DMS302
|
4.5
|
24.6
|
0.6
|
|
O
|
A:HOH583
|
4.6
|
26.0
|
0.4
|
|
H
|
A:ASP157
|
4.7
|
14.7
|
0.6
|
|
CA
|
A:ALA129
|
4.7
|
7.6
|
0.4
|
|
N11
|
A:R9F303
|
4.7
|
15.8
|
0.6
|
|
HG13
|
A:VAL155
|
4.7
|
13.8
|
0.4
|
|
CG
|
A:LEU160
|
4.7
|
19.0
|
0.4
|
|
HG13
|
A:VAL155
|
4.7
|
16.2
|
0.6
|
|
CG
|
A:LEU160
|
4.8
|
15.4
|
0.6
|
|
HB2
|
A:ALA129
|
4.8
|
12.8
|
0.6
|
|
CA
|
A:ALA129
|
4.8
|
10.7
|
0.6
|
|
H23
|
A:DMS302
|
4.8
|
29.6
|
0.6
|
|
O
|
A:HOH663
|
4.9
|
34.8
|
0.4
|
|
CB
|
A:PRO136
|
4.9
|
12.9
|
0.4
|
|
HA
|
A:ALA129
|
4.9
|
9.1
|
0.4
|
|
HB2
|
A:LEU126
|
4.9
|
17.4
|
0.6
|
|
HG3
|
A:PRO136
|
5.0
|
15.5
|
0.6
|
|
CB
|
A:ASP157
|
5.0
|
13.6
|
0.6
|
|
Fluorine binding site 3 out
of 4 in 5srh
Go back to
Fluorine Binding Sites List in 5srh
Fluorine binding site 3 out
of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z5265470867 - Pyrimido-Indole Core Only
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z5265470867 - Pyrimido-Indole Core Only within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F301
b:18.0
occ:0.64
|
F3
|
A:TFA301
|
0.0
|
18.0
|
0.6
|
|
C2
|
A:TFA301
|
1.4
|
14.9
|
0.6
|
|
O
|
A:HOH631
|
1.8
|
33.9
|
0.4
|
|
O
|
A:HOH642
|
1.9
|
29.9
|
0.4
|
|
F1
|
A:TFA301
|
2.2
|
17.0
|
0.6
|
|
F2
|
A:TFA301
|
2.2
|
15.6
|
0.6
|
|
H111
|
A:R9F303
|
2.3
|
19.0
|
0.6
|
|
C1
|
A:TFA301
|
2.3
|
12.8
|
0.6
|
|
HB3
|
A:ALA129
|
2.7
|
10.4
|
0.4
|
|
OXT
|
A:TFA301
|
2.8
|
12.8
|
0.6
|
|
HB1
|
A:ALA129
|
2.9
|
10.4
|
0.4
|
|
HB3
|
A:ALA129
|
3.1
|
12.8
|
0.6
|
|
N11
|
A:R9F303
|
3.1
|
15.8
|
0.6
|
|
O
|
A:HOH499
|
3.2
|
21.9
|
1.0
|
|
CB
|
A:ALA129
|
3.2
|
8.7
|
0.4
|
|
O
|
A:HOH583
|
3.3
|
26.0
|
0.4
|
|
H
|
A:GLY130
|
3.4
|
8.7
|
0.4
|
|
O
|
A:TFA301
|
3.4
|
13.4
|
0.6
|
|
O
|
A:HOH635
|
3.4
|
21.0
|
0.4
|
|
O
|
A:HOH552
|
3.5
|
24.4
|
0.6
|
|
O
|
A:HOH430
|
3.5
|
14.5
|
0.6
|
|
N
|
A:GLY130
|
3.5
|
7.2
|
0.4
|
|
H112
|
A:R9F303
|
3.5
|
19.0
|
0.6
|
|
O
|
A:HOH580
|
3.6
|
22.3
|
0.4
|
|
HB1
|
A:ALA129
|
3.6
|
12.8
|
0.6
|
|
O
|
A:HOH513
|
3.6
|
10.8
|
0.4
|
|
HB2
|
A:LEU126
|
3.7
|
17.4
|
0.6
|
|
HA3
|
A:GLY130
|
3.7
|
8.9
|
0.4
|
|
HA3
|
A:GLY130
|
3.7
|
14.3
|
0.6
|
|
CB
|
A:ALA129
|
3.8
|
10.6
|
0.6
|
|
N
|
A:GLY130
|
3.9
|
11.3
|
0.6
|
|
H
|
A:GLY130
|
3.9
|
13.5
|
0.6
|
|
HB2
|
A:ALA129
|
3.9
|
10.4
|
0.4
|
|
C
|
A:ALA129
|
3.9
|
7.2
|
0.4
|
|
HB2
|
A:LEU126
|
4.0
|
11.4
|
0.4
|
|
CA
|
A:GLY130
|
4.0
|
7.4
|
0.4
|
|
HA2
|
A:GLY130
|
4.1
|
8.9
|
0.4
|
|
C10
|
A:R9F303
|
4.1
|
14.9
|
0.6
|
|
C
|
A:ALA129
|
4.2
|
11.9
|
0.6
|
|
CA
|
A:ALA129
|
4.2
|
7.6
|
0.4
|
|
CA
|
A:GLY130
|
4.2
|
11.9
|
0.6
|
|
O
|
A:HOH567
|
4.2
|
17.8
|
0.4
|
|
N09
|
A:R9F303
|
4.2
|
13.9
|
0.6
|
|
H
|
A:LEU126
|
4.3
|
15.3
|
0.6
|
|
O
|
A:LEU126
|
4.3
|
11.7
|
0.6
|
|
O
|
A:HOH470
|
4.3
|
17.4
|
0.6
|
|
HD23
|
A:LEU160
|
4.3
|
22.5
|
0.4
|
|
HD23
|
A:LEU160
|
4.4
|
19.2
|
0.6
|
|
HA2
|
A:GLY130
|
4.4
|
14.3
|
0.6
|
|
HD21
|
A:LEU160
|
4.5
|
22.5
|
0.4
|
|
HB2
|
A:ALA129
|
4.5
|
12.8
|
0.6
|
|
CB
|
A:LEU126
|
4.5
|
14.5
|
0.6
|
|
CA
|
A:ALA129
|
4.6
|
10.7
|
0.6
|
|
O
|
A:LEU126
|
4.6
|
9.0
|
0.4
|
|
H
|
A:LEU126
|
4.6
|
10.1
|
0.4
|
|
O
|
A:HOH591
|
4.6
|
31.3
|
1.0
|
|
O
|
A:ALA129
|
4.6
|
12.8
|
0.6
|
|
O
|
A:ALA129
|
4.7
|
7.2
|
0.4
|
|
HB3
|
A:LEU126
|
4.7
|
17.4
|
0.6
|
|
HD12
|
A:LEU126
|
4.7
|
20.0
|
0.6
|
|
H
|
A:PHE156
|
4.7
|
14.9
|
0.6
|
|
HD21
|
A:LEU160
|
4.7
|
19.2
|
0.6
|
|
CD2
|
A:LEU160
|
4.8
|
18.8
|
0.4
|
|
O
|
A:HOH421
|
4.8
|
14.4
|
0.6
|
|
HB3
|
A:PRO136
|
4.8
|
15.5
|
0.4
|
|
HA
|
A:ALA129
|
4.8
|
9.1
|
0.4
|
|
O
|
A:HOH661
|
4.8
|
35.8
|
0.4
|
|
HD22
|
A:LEU160
|
4.8
|
22.5
|
0.4
|
|
HB3
|
A:PHE156
|
4.8
|
16.3
|
0.6
|
|
HD12
|
A:LEU126
|
4.8
|
14.5
|
0.4
|
|
H
|
A:ALA129
|
4.8
|
8.8
|
0.4
|
|
HG13
|
A:VAL155
|
4.9
|
13.8
|
0.4
|
|
HB2
|
A:PRO125
|
4.9
|
9.4
|
0.4
|
|
H
|
A:ALA129
|
4.9
|
12.9
|
0.6
|
|
CD2
|
A:LEU160
|
4.9
|
16.0
|
0.6
|
|
CB
|
A:LEU126
|
4.9
|
9.5
|
0.4
|
|
N
|
A:LEU126
|
4.9
|
12.8
|
0.6
|
|
HG13
|
A:VAL155
|
5.0
|
16.2
|
0.6
|
|
Fluorine binding site 4 out
of 4 in 5srh
Go back to
Fluorine Binding Sites List in 5srh
Fluorine binding site 4 out
of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z5265470867 - Pyrimido-Indole Core Only
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z5265470867 - Pyrimido-Indole Core Only within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F303
b:14.4
occ:0.64
|
F01
|
A:R9F303
|
0.0
|
14.4
|
0.6
|
|
O
|
A:HOH557
|
1.2
|
13.8
|
0.4
|
|
C02
|
A:R9F303
|
1.4
|
14.4
|
0.6
|
|
O
|
A:HOH664
|
1.7
|
35.3
|
0.4
|
|
C03
|
A:R9F303
|
2.3
|
13.8
|
0.6
|
|
C15
|
A:R9F303
|
2.4
|
14.6
|
0.6
|
|
H031
|
A:R9F303
|
2.5
|
16.6
|
0.6
|
|
H151
|
A:R9F303
|
2.6
|
17.5
|
0.6
|
|
HB2
|
A:ALA52
|
2.7
|
12.2
|
0.4
|
|
HB2
|
A:ALA52
|
2.7
|
17.4
|
0.6
|
|
O
|
A:HOH581
|
3.5
|
32.7
|
0.4
|
|
O
|
A:HOH655
|
3.5
|
25.5
|
0.4
|
|
CB
|
A:ALA52
|
3.6
|
14.5
|
0.6
|
|
CB
|
A:ALA52
|
3.6
|
10.2
|
0.4
|
|
C04
|
A:R9F303
|
3.6
|
13.6
|
0.6
|
|
C14
|
A:R9F303
|
3.7
|
14.6
|
0.6
|
|
HB1
|
A:ALA52
|
3.8
|
17.4
|
0.6
|
|
HB1
|
A:ALA52
|
3.9
|
12.2
|
0.4
|
|
O
|
A:GLY48
|
3.9
|
9.4
|
0.4
|
|
O
|
A:HOH439
|
3.9
|
34.6
|
0.6
|
|
HB3
|
A:ALA52
|
4.0
|
17.4
|
0.6
|
|
HB3
|
A:ALA52
|
4.0
|
12.2
|
0.4
|
|
O
|
A:GLY48
|
4.1
|
16.4
|
0.6
|
|
C13
|
A:R9F303
|
4.1
|
13.6
|
0.6
|
|
O
|
A:HOH597
|
4.1
|
44.3
|
1.0
|
|
H141
|
A:R9F303
|
4.4
|
17.5
|
0.6
|
|
H
|
A:ALA52
|
4.5
|
9.6
|
0.4
|
|
HA2
|
A:GLY48
|
4.6
|
21.2
|
0.6
|
|
HA
|
A:ALA52
|
4.6
|
10.2
|
0.4
|
|
C
|
A:GLY48
|
4.6
|
9.2
|
0.4
|
|
CA
|
A:ALA52
|
4.6
|
8.5
|
0.4
|
|
H
|
A:ALA52
|
4.6
|
15.9
|
0.6
|
|
HA
|
A:ALA52
|
4.7
|
16.1
|
0.6
|
|
C
|
A:GLY48
|
4.7
|
16.4
|
0.6
|
|
CA
|
A:ALA52
|
4.7
|
13.4
|
0.6
|
|
HA2
|
A:GLY48
|
4.7
|
11.9
|
0.4
|
|
HZ
|
A:PHE156
|
4.7
|
22.0
|
0.6
|
|
N05
|
A:R9F303
|
4.8
|
12.6
|
0.6
|
|
N
|
A:ALA52
|
4.8
|
8.0
|
0.4
|
|
CZ
|
A:PHE156
|
4.9
|
18.3
|
0.6
|
|
N
|
A:ALA52
|
4.9
|
13.2
|
0.6
|
|
H
|
A:GLY48
|
5.0
|
22.3
|
0.6
|
|
HA
|
A:VAL49
|
5.0
|
9.7
|
0.4
|
|
Reference:
G.J.Correy,
J.S.Fraser.
Ligand Screen Against Sars-Cov-2 NSP3 Macrodomain To Be Published.
Page generated: Thu Aug 1 14:51:20 2024
|
