Fluorine in PDB 4bs6: Mouse Cathepsin S with Covalent Ligand
Enzymatic activity of Mouse Cathepsin S with Covalent Ligand
All present enzymatic activity of Mouse Cathepsin S with Covalent Ligand:
3.4.22.27;
Protein crystallography data
The structure of Mouse Cathepsin S with Covalent Ligand, PDB code: 4bs6
was solved by
D.W.Banner,
J.Benz,
B.Gsell,
M.Stihle,
A.Ruf,
W.Haap,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.15 /
1.20
|
Space group
|
P 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
33.270,
66.740,
97.960,
90.00,
90.36,
90.00
|
R / Rfree (%)
|
12.193 /
15.497
|
Other elements in 4bs6:
The structure of Mouse Cathepsin S with Covalent Ligand also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Mouse Cathepsin S with Covalent Ligand
(pdb code 4bs6). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the
Mouse Cathepsin S with Covalent Ligand, PDB code: 4bs6:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 4bs6
Go back to
Fluorine Binding Sites List in 4bs6
Fluorine binding site 1 out
of 6 in the Mouse Cathepsin S with Covalent Ligand
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Mouse Cathepsin S with Covalent Ligand within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1342
b:17.7
occ:1.00
|
F35
|
A:JG71342
|
0.0
|
17.7
|
1.0
|
C8
|
A:JG71342
|
1.3
|
17.4
|
1.0
|
F33
|
A:JG71342
|
2.2
|
16.0
|
1.0
|
F34
|
A:JG71342
|
2.2
|
17.8
|
1.0
|
C1
|
A:JG71342
|
2.3
|
15.4
|
1.0
|
HE3
|
A:LYS187
|
2.7
|
30.4
|
1.0
|
HA3
|
A:GLY191
|
2.7
|
13.7
|
1.0
|
C4
|
A:JG71342
|
2.9
|
14.2
|
1.0
|
O28
|
A:JG71342
|
3.1
|
15.3
|
1.0
|
C12
|
A:JG71342
|
3.2
|
16.2
|
1.0
|
H122
|
A:JG71342
|
3.2
|
15.8
|
1.0
|
HE2
|
A:LYS187
|
3.3
|
30.7
|
1.0
|
C
|
A:GLY191
|
3.3
|
12.7
|
1.0
|
CE
|
A:LYS187
|
3.3
|
31.6
|
1.0
|
O
|
A:HOH2128
|
3.3
|
21.0
|
1.0
|
H
|
A:GLY192
|
3.3
|
12.8
|
1.0
|
N
|
A:GLY192
|
3.4
|
12.6
|
1.0
|
CA
|
A:GLY191
|
3.4
|
13.9
|
1.0
|
HZ2
|
A:LYS187
|
3.5
|
32.1
|
1.0
|
O
|
A:GLY190
|
3.5
|
18.0
|
1.0
|
C11
|
A:JG71342
|
3.7
|
15.3
|
1.0
|
N3
|
A:JG71342
|
3.8
|
12.6
|
1.0
|
HA2
|
A:GLY192
|
3.8
|
12.7
|
1.0
|
NZ
|
A:LYS187
|
3.9
|
32.6
|
1.0
|
O
|
A:GLY191
|
3.9
|
14.8
|
1.0
|
H121
|
A:JG71342
|
3.9
|
16.3
|
1.0
|
H112
|
A:JG71342
|
4.0
|
15.7
|
1.0
|
O
|
A:HOH2121
|
4.1
|
45.8
|
1.0
|
HA2
|
A:GLY191
|
4.1
|
13.9
|
1.0
|
CA
|
A:GLY192
|
4.1
|
12.6
|
1.0
|
HZ3
|
A:LYS187
|
4.1
|
32.8
|
1.0
|
H92C
|
A:JG71342
|
4.2
|
12.2
|
1.0
|
N
|
A:GLY191
|
4.3
|
14.9
|
1.0
|
C
|
A:GLY190
|
4.3
|
17.0
|
1.0
|
HB2
|
A:LYS187
|
4.3
|
19.7
|
1.0
|
O29
|
A:JG71342
|
4.4
|
13.4
|
1.0
|
H261
|
A:JG71342
|
4.5
|
13.3
|
1.0
|
HG3
|
A:LYS187
|
4.5
|
23.6
|
1.0
|
C9
|
A:JG71342
|
4.5
|
12.2
|
1.0
|
H111
|
A:JG71342
|
4.5
|
15.5
|
1.0
|
CD
|
A:LYS187
|
4.6
|
27.7
|
1.0
|
O
|
A:GLY192
|
4.7
|
11.3
|
1.0
|
HZ1
|
A:LYS187
|
4.7
|
30.9
|
1.0
|
H91C
|
A:JG71342
|
4.8
|
12.7
|
1.0
|
C13
|
A:JG71342
|
4.8
|
12.9
|
1.0
|
O
|
A:HOH2120
|
4.8
|
42.5
|
1.0
|
C
|
A:GLY192
|
4.8
|
10.9
|
1.0
|
HE1
|
A:TYR193
|
4.8
|
13.8
|
1.0
|
C7
|
A:JG71342
|
4.9
|
12.1
|
1.0
|
HD2
|
A:LYS187
|
4.9
|
27.1
|
1.0
|
CG
|
A:LYS187
|
4.9
|
24.1
|
1.0
|
HA3
|
A:GLY192
|
4.9
|
11.9
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 4bs6
Go back to
Fluorine Binding Sites List in 4bs6
Fluorine binding site 2 out
of 6 in the Mouse Cathepsin S with Covalent Ligand
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Mouse Cathepsin S with Covalent Ligand within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1342
b:17.8
occ:1.00
|
F34
|
A:JG71342
|
0.0
|
17.8
|
1.0
|
C8
|
A:JG71342
|
1.3
|
17.4
|
1.0
|
F33
|
A:JG71342
|
2.1
|
16.0
|
1.0
|
F35
|
A:JG71342
|
2.2
|
17.7
|
1.0
|
C1
|
A:JG71342
|
2.3
|
15.4
|
1.0
|
H112
|
A:JG71342
|
2.5
|
15.7
|
1.0
|
H122
|
A:JG71342
|
2.5
|
15.8
|
1.0
|
C11
|
A:JG71342
|
2.8
|
15.3
|
1.0
|
C12
|
A:JG71342
|
2.8
|
16.2
|
1.0
|
HE2
|
A:LYS187
|
2.9
|
30.7
|
1.0
|
HZ2
|
A:LYS187
|
2.9
|
32.1
|
1.0
|
OH
|
A:TYR193
|
3.3
|
18.3
|
1.0
|
O
|
A:HOH2132
|
3.3
|
25.2
|
1.0
|
O
|
A:HOH2120
|
3.3
|
42.5
|
1.0
|
HE3
|
A:LYS187
|
3.3
|
30.4
|
1.0
|
HE1
|
A:TYR193
|
3.4
|
13.8
|
1.0
|
CE
|
A:LYS187
|
3.4
|
31.6
|
1.0
|
NZ
|
A:LYS187
|
3.6
|
32.6
|
1.0
|
CZ
|
A:TYR193
|
3.6
|
15.2
|
1.0
|
CE2
|
A:TYR193
|
3.7
|
14.7
|
1.0
|
C4
|
A:JG71342
|
3.7
|
14.2
|
1.0
|
H111
|
A:JG71342
|
3.9
|
15.5
|
1.0
|
H121
|
A:JG71342
|
3.9
|
16.3
|
1.0
|
O
|
A:HOH2116
|
4.1
|
36.4
|
1.0
|
HZ1
|
A:LYS187
|
4.2
|
30.9
|
1.0
|
H92C
|
A:JG71342
|
4.2
|
12.2
|
1.0
|
HZ3
|
A:LYS187
|
4.2
|
32.8
|
1.0
|
O28
|
A:JG71342
|
4.4
|
15.3
|
1.0
|
H91C
|
A:JG71342
|
4.4
|
12.7
|
1.0
|
HA2
|
A:GLY192
|
4.4
|
12.7
|
1.0
|
N3
|
A:JG71342
|
4.5
|
12.6
|
1.0
|
O
|
A:HOH2121
|
4.6
|
45.8
|
1.0
|
C9
|
A:JG71342
|
4.6
|
12.2
|
1.0
|
CE1
|
A:TYR193
|
4.6
|
14.2
|
1.0
|
CD2
|
A:TYR193
|
4.7
|
13.6
|
1.0
|
HG3
|
A:LYS187
|
4.7
|
23.6
|
1.0
|
N
|
A:GLY192
|
4.8
|
12.6
|
1.0
|
H
|
A:GLY192
|
4.8
|
12.8
|
1.0
|
CD
|
A:LYS187
|
4.9
|
27.7
|
1.0
|
HA3
|
A:GLY191
|
4.9
|
13.7
|
1.0
|
O
|
A:GLY185
|
4.9
|
21.3
|
1.0
|
O
|
A:HOH2128
|
5.0
|
21.0
|
1.0
|
HE2
|
A:TYR193
|
5.0
|
13.9
|
1.0
|
|
Fluorine binding site 3 out
of 6 in 4bs6
Go back to
Fluorine Binding Sites List in 4bs6
Fluorine binding site 3 out
of 6 in the Mouse Cathepsin S with Covalent Ligand
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Mouse Cathepsin S with Covalent Ligand within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1342
b:16.0
occ:1.00
|
F33
|
A:JG71342
|
0.0
|
16.0
|
1.0
|
C8
|
A:JG71342
|
1.3
|
17.4
|
1.0
|
F34
|
A:JG71342
|
2.1
|
17.8
|
1.0
|
F35
|
A:JG71342
|
2.2
|
17.7
|
1.0
|
C1
|
A:JG71342
|
2.4
|
15.4
|
1.0
|
H92C
|
A:JG71342
|
2.4
|
12.2
|
1.0
|
HA2
|
A:GLY192
|
2.8
|
12.7
|
1.0
|
C4
|
A:JG71342
|
3.0
|
14.2
|
1.0
|
H
|
A:GLY192
|
3.0
|
12.8
|
1.0
|
N
|
A:GLY192
|
3.1
|
12.6
|
1.0
|
C9
|
A:JG71342
|
3.1
|
12.2
|
1.0
|
N3
|
A:JG71342
|
3.2
|
12.6
|
1.0
|
CE2
|
A:TYR193
|
3.2
|
14.7
|
1.0
|
CA
|
A:GLY192
|
3.2
|
12.6
|
1.0
|
C11
|
A:JG71342
|
3.3
|
15.3
|
1.0
|
O
|
A:GLY192
|
3.3
|
11.3
|
1.0
|
H112
|
A:JG71342
|
3.3
|
15.7
|
1.0
|
HE1
|
A:TYR193
|
3.3
|
13.8
|
1.0
|
CZ
|
A:TYR193
|
3.3
|
15.2
|
1.0
|
C
|
A:GLY192
|
3.4
|
10.9
|
1.0
|
H91C
|
A:JG71342
|
3.4
|
12.7
|
1.0
|
CD2
|
A:TYR193
|
3.6
|
13.6
|
1.0
|
C12
|
A:JG71342
|
3.7
|
16.2
|
1.0
|
OH
|
A:TYR193
|
3.8
|
18.3
|
1.0
|
C
|
A:GLY191
|
3.8
|
12.7
|
1.0
|
O28
|
A:JG71342
|
3.9
|
15.3
|
1.0
|
CE1
|
A:TYR193
|
3.9
|
14.2
|
1.0
|
H111
|
A:JG71342
|
4.0
|
15.5
|
1.0
|
HD1
|
A:TYR193
|
4.0
|
13.5
|
1.0
|
H122
|
A:JG71342
|
4.0
|
15.8
|
1.0
|
HA3
|
A:GLY191
|
4.0
|
13.7
|
1.0
|
HE2
|
A:LYS187
|
4.1
|
30.7
|
1.0
|
CG
|
A:TYR193
|
4.1
|
12.8
|
1.0
|
HA3
|
A:GLY192
|
4.2
|
11.9
|
1.0
|
CD1
|
A:TYR193
|
4.2
|
12.8
|
1.0
|
N
|
A:TYR193
|
4.2
|
11.6
|
1.0
|
HE3
|
A:LYS187
|
4.3
|
30.4
|
1.0
|
HE2
|
A:TYR193
|
4.4
|
13.9
|
1.0
|
O29
|
A:JG71342
|
4.4
|
13.4
|
1.0
|
O
|
A:GLY191
|
4.4
|
14.8
|
1.0
|
C7
|
A:JG71342
|
4.4
|
12.1
|
1.0
|
C5
|
A:JG71342
|
4.5
|
11.3
|
1.0
|
CA
|
A:GLY191
|
4.5
|
13.9
|
1.0
|
H121
|
A:JG71342
|
4.6
|
16.3
|
1.0
|
CE
|
A:LYS187
|
4.6
|
31.6
|
1.0
|
H
|
A:TYR193
|
4.7
|
11.3
|
1.0
|
H5
|
A:JG71342
|
4.7
|
11.6
|
1.0
|
O
|
A:HOH2132
|
4.8
|
25.2
|
1.0
|
H102
|
A:JG71342
|
4.8
|
11.8
|
1.0
|
C13
|
A:JG71342
|
4.8
|
12.9
|
1.0
|
HZ2
|
A:LYS187
|
4.8
|
32.1
|
1.0
|
O
|
A:GLY185
|
4.8
|
21.3
|
1.0
|
HA
|
A:TYR193
|
4.8
|
11.3
|
1.0
|
HA
|
A:ASN186
|
4.9
|
16.6
|
1.0
|
C10
|
A:JG71342
|
4.9
|
11.7
|
1.0
|
HD2
|
A:TYR193
|
4.9
|
12.7
|
1.0
|
HA2
|
A:GLY191
|
5.0
|
13.9
|
1.0
|
CA
|
A:TYR193
|
5.0
|
11.3
|
1.0
|
|
Fluorine binding site 4 out
of 6 in 4bs6
Go back to
Fluorine Binding Sites List in 4bs6
Fluorine binding site 4 out
of 6 in the Mouse Cathepsin S with Covalent Ligand
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Mouse Cathepsin S with Covalent Ligand within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1341
b:18.3
occ:1.00
|
F35
|
B:JG71341
|
0.0
|
18.3
|
1.0
|
C8
|
B:JG71341
|
1.3
|
16.9
|
1.0
|
F33
|
B:JG71341
|
2.1
|
16.7
|
1.0
|
F34
|
B:JG71341
|
2.2
|
18.7
|
1.0
|
C1
|
B:JG71341
|
2.3
|
15.6
|
1.0
|
HA3
|
B:GLY191
|
2.7
|
13.2
|
1.0
|
HE3
|
B:LYS187
|
2.7
|
33.4
|
1.0
|
HE2
|
B:LYS187
|
2.8
|
31.4
|
1.0
|
C4
|
B:JG71341
|
2.9
|
14.2
|
1.0
|
CE
|
B:LYS187
|
3.2
|
34.2
|
1.0
|
O28
|
B:JG71341
|
3.2
|
15.9
|
1.0
|
C12
|
B:JG71341
|
3.2
|
16.6
|
1.0
|
H122
|
B:JG71341
|
3.2
|
15.7
|
1.0
|
C
|
B:GLY191
|
3.3
|
13.2
|
1.0
|
N
|
B:GLY192
|
3.3
|
12.9
|
1.0
|
H
|
B:GLY192
|
3.4
|
12.9
|
1.0
|
CA
|
B:GLY191
|
3.4
|
13.2
|
1.0
|
O
|
B:HOH2128
|
3.4
|
21.0
|
1.0
|
HZ2
|
B:LYS187
|
3.4
|
36.9
|
1.0
|
O
|
B:GLY190
|
3.6
|
17.9
|
1.0
|
C11
|
B:JG71341
|
3.7
|
16.0
|
1.0
|
HA2
|
B:GLY192
|
3.8
|
12.4
|
1.0
|
NZ
|
B:LYS187
|
3.8
|
37.7
|
1.0
|
O
|
B:GLY191
|
3.8
|
15.7
|
1.0
|
N3
|
B:JG71341
|
3.8
|
12.8
|
1.0
|
H121
|
B:JG71341
|
3.9
|
16.5
|
1.0
|
H112
|
B:JG71341
|
4.0
|
16.2
|
1.0
|
HA2
|
B:GLY191
|
4.1
|
13.3
|
1.0
|
CA
|
B:GLY192
|
4.1
|
12.6
|
1.0
|
H92C
|
B:JG71341
|
4.2
|
12.3
|
1.0
|
HB2
|
B:LYS187
|
4.2
|
19.2
|
1.0
|
HG3
|
B:LYS187
|
4.2
|
21.9
|
1.0
|
N
|
B:GLY191
|
4.2
|
13.8
|
1.0
|
C
|
B:GLY190
|
4.3
|
14.8
|
1.0
|
O29
|
B:JG71341
|
4.3
|
12.3
|
1.0
|
HZ3
|
B:LYS187
|
4.4
|
36.9
|
1.0
|
HZ1
|
B:LYS187
|
4.5
|
36.5
|
1.0
|
CD
|
B:LYS187
|
4.5
|
27.5
|
1.0
|
C9
|
B:JG71341
|
4.5
|
12.3
|
1.0
|
H261
|
B:JG71341
|
4.5
|
11.8
|
1.0
|
H111
|
B:JG71341
|
4.5
|
16.1
|
1.0
|
CG
|
B:LYS187
|
4.7
|
21.9
|
1.0
|
O
|
B:GLY192
|
4.7
|
12.4
|
1.0
|
H91C
|
B:JG71341
|
4.8
|
12.7
|
1.0
|
C13
|
B:JG71341
|
4.8
|
11.6
|
1.0
|
C
|
B:GLY192
|
4.8
|
12.3
|
1.0
|
HE1
|
B:TYR193
|
4.8
|
16.4
|
1.0
|
HD2
|
B:LYS187
|
4.8
|
26.7
|
1.0
|
HA3
|
B:GLY192
|
4.9
|
12.8
|
1.0
|
O
|
B:HOH2120
|
4.9
|
43.9
|
1.0
|
C7
|
B:JG71341
|
4.9
|
11.9
|
1.0
|
CB
|
B:LYS187
|
4.9
|
19.4
|
1.0
|
O
|
B:HOH2122
|
5.0
|
42.8
|
1.0
|
H
|
B:GLY191
|
5.0
|
13.7
|
1.0
|
CE2
|
B:TYR193
|
5.0
|
17.0
|
1.0
|
|
Fluorine binding site 5 out
of 6 in 4bs6
Go back to
Fluorine Binding Sites List in 4bs6
Fluorine binding site 5 out
of 6 in the Mouse Cathepsin S with Covalent Ligand
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Mouse Cathepsin S with Covalent Ligand within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1341
b:18.7
occ:1.00
|
F34
|
B:JG71341
|
0.0
|
18.7
|
1.0
|
C8
|
B:JG71341
|
1.3
|
16.9
|
1.0
|
F33
|
B:JG71341
|
2.1
|
16.7
|
1.0
|
F35
|
B:JG71341
|
2.2
|
18.3
|
1.0
|
C1
|
B:JG71341
|
2.4
|
15.6
|
1.0
|
H112
|
B:JG71341
|
2.5
|
16.2
|
1.0
|
H122
|
B:JG71341
|
2.6
|
15.7
|
1.0
|
HE2
|
B:LYS187
|
2.6
|
31.4
|
1.0
|
HZ2
|
B:LYS187
|
2.8
|
36.9
|
1.0
|
C11
|
B:JG71341
|
2.8
|
16.0
|
1.0
|
C12
|
B:JG71341
|
2.9
|
16.6
|
1.0
|
O
|
B:HOH2133
|
3.2
|
28.5
|
1.0
|
CE
|
B:LYS187
|
3.3
|
34.2
|
1.0
|
OH
|
B:TYR193
|
3.3
|
20.8
|
1.0
|
HE1
|
B:TYR193
|
3.3
|
16.4
|
1.0
|
NZ
|
B:LYS187
|
3.4
|
37.7
|
1.0
|
HE3
|
B:LYS187
|
3.4
|
33.4
|
1.0
|
O
|
B:HOH2122
|
3.4
|
42.8
|
1.0
|
HZ1
|
B:LYS187
|
3.6
|
36.5
|
1.0
|
CZ
|
B:TYR193
|
3.6
|
16.9
|
1.0
|
CE2
|
B:TYR193
|
3.6
|
17.0
|
1.0
|
C4
|
B:JG71341
|
3.7
|
14.2
|
1.0
|
H111
|
B:JG71341
|
3.9
|
16.1
|
1.0
|
H121
|
B:JG71341
|
3.9
|
16.5
|
1.0
|
H92C
|
B:JG71341
|
4.2
|
12.3
|
1.0
|
O
|
B:HOH2118
|
4.2
|
31.1
|
1.0
|
HZ3
|
B:LYS187
|
4.3
|
36.9
|
1.0
|
HA2
|
B:GLY192
|
4.4
|
12.4
|
1.0
|
O28
|
B:JG71341
|
4.4
|
15.9
|
1.0
|
H91C
|
B:JG71341
|
4.4
|
12.7
|
1.0
|
HG3
|
B:LYS187
|
4.5
|
21.9
|
1.0
|
N3
|
B:JG71341
|
4.5
|
12.8
|
1.0
|
C9
|
B:JG71341
|
4.6
|
12.3
|
1.0
|
CE1
|
B:TYR193
|
4.6
|
16.5
|
1.0
|
CD2
|
B:TYR193
|
4.6
|
16.1
|
1.0
|
CD
|
B:LYS187
|
4.6
|
27.5
|
1.0
|
O
|
B:GLY185
|
4.7
|
21.2
|
1.0
|
N
|
B:GLY192
|
4.8
|
12.9
|
1.0
|
HA3
|
B:GLY191
|
4.8
|
13.2
|
1.0
|
H
|
B:GLY192
|
4.8
|
12.9
|
1.0
|
HD3
|
B:LYS187
|
4.9
|
26.9
|
1.0
|
HE2
|
B:TYR193
|
5.0
|
16.2
|
1.0
|
O
|
B:HOH2128
|
5.0
|
21.0
|
1.0
|
CA
|
B:GLY192
|
5.0
|
12.6
|
1.0
|
HD1
|
B:TYR193
|
5.0
|
16.1
|
1.0
|
|
Fluorine binding site 6 out
of 6 in 4bs6
Go back to
Fluorine Binding Sites List in 4bs6
Fluorine binding site 6 out
of 6 in the Mouse Cathepsin S with Covalent Ligand
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Mouse Cathepsin S with Covalent Ligand within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1341
b:16.7
occ:1.00
|
F33
|
B:JG71341
|
0.0
|
16.7
|
1.0
|
C8
|
B:JG71341
|
1.3
|
16.9
|
1.0
|
F34
|
B:JG71341
|
2.1
|
18.7
|
1.0
|
F35
|
B:JG71341
|
2.1
|
18.3
|
1.0
|
C1
|
B:JG71341
|
2.4
|
15.6
|
1.0
|
H92C
|
B:JG71341
|
2.4
|
12.3
|
1.0
|
HA2
|
B:GLY192
|
2.8
|
12.4
|
1.0
|
C4
|
B:JG71341
|
3.0
|
14.2
|
1.0
|
H
|
B:GLY192
|
3.0
|
12.9
|
1.0
|
N
|
B:GLY192
|
3.1
|
12.9
|
1.0
|
C9
|
B:JG71341
|
3.1
|
12.3
|
1.0
|
CA
|
B:GLY192
|
3.2
|
12.6
|
1.0
|
CE2
|
B:TYR193
|
3.2
|
17.0
|
1.0
|
N3
|
B:JG71341
|
3.2
|
12.8
|
1.0
|
C11
|
B:JG71341
|
3.3
|
16.0
|
1.0
|
O
|
B:GLY192
|
3.3
|
12.4
|
1.0
|
H112
|
B:JG71341
|
3.3
|
16.2
|
1.0
|
HE1
|
B:TYR193
|
3.3
|
16.4
|
1.0
|
C
|
B:GLY192
|
3.3
|
12.3
|
1.0
|
CZ
|
B:TYR193
|
3.4
|
16.9
|
1.0
|
H91C
|
B:JG71341
|
3.4
|
12.7
|
1.0
|
CD2
|
B:TYR193
|
3.6
|
16.1
|
1.0
|
C12
|
B:JG71341
|
3.7
|
16.6
|
1.0
|
C
|
B:GLY191
|
3.8
|
13.2
|
1.0
|
HE2
|
B:LYS187
|
3.8
|
31.4
|
1.0
|
OH
|
B:TYR193
|
3.8
|
20.8
|
1.0
|
O28
|
B:JG71341
|
3.9
|
15.9
|
1.0
|
CE1
|
B:TYR193
|
3.9
|
16.5
|
1.0
|
HD1
|
B:TYR193
|
3.9
|
16.1
|
1.0
|
H111
|
B:JG71341
|
4.0
|
16.1
|
1.0
|
H122
|
B:JG71341
|
4.0
|
15.7
|
1.0
|
HA3
|
B:GLY191
|
4.0
|
13.2
|
1.0
|
CG
|
B:TYR193
|
4.1
|
15.2
|
1.0
|
HA3
|
B:GLY192
|
4.1
|
12.8
|
1.0
|
N
|
B:TYR193
|
4.2
|
12.9
|
1.0
|
CD1
|
B:TYR193
|
4.2
|
14.4
|
1.0
|
O
|
B:GLY191
|
4.4
|
15.7
|
1.0
|
HE2
|
B:TYR193
|
4.4
|
16.2
|
1.0
|
O29
|
B:JG71341
|
4.4
|
12.3
|
1.0
|
C7
|
B:JG71341
|
4.4
|
11.9
|
1.0
|
HE3
|
B:LYS187
|
4.5
|
33.4
|
1.0
|
CA
|
B:GLY191
|
4.5
|
13.2
|
1.0
|
C5
|
B:JG71341
|
4.5
|
11.6
|
1.0
|
CE
|
B:LYS187
|
4.6
|
34.2
|
1.0
|
H121
|
B:JG71341
|
4.6
|
16.5
|
1.0
|
H
|
B:TYR193
|
4.6
|
12.8
|
1.0
|
H5
|
B:JG71341
|
4.7
|
12.0
|
1.0
|
HZ2
|
B:LYS187
|
4.7
|
36.9
|
1.0
|
HA
|
B:ASN186
|
4.8
|
16.9
|
1.0
|
O
|
B:GLY185
|
4.8
|
21.2
|
1.0
|
O
|
B:HOH2133
|
4.8
|
28.5
|
1.0
|
H102
|
B:JG71341
|
4.8
|
11.4
|
1.0
|
HA
|
B:TYR193
|
4.8
|
13.1
|
1.0
|
C13
|
B:JG71341
|
4.8
|
11.6
|
1.0
|
C10
|
B:JG71341
|
4.9
|
11.2
|
1.0
|
HD2
|
B:TYR193
|
4.9
|
14.4
|
1.0
|
HG3
|
B:LYS187
|
4.9
|
21.9
|
1.0
|
HA2
|
B:GLY191
|
4.9
|
13.3
|
1.0
|
CA
|
B:TYR193
|
5.0
|
12.9
|
1.0
|
|
Reference:
W.Haap,
D.W.Banner.
Cathepsin S Nitrile Inhibitors To Be Published.
Page generated: Thu Aug 1 00:20:03 2024
|