Fluorine in PDB 6f8u: Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B
Enzymatic activity of Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B
All present enzymatic activity of Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B:
3.1.4.53;
Protein crystallography data
The structure of Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B, PDB code: 6f8u
was solved by
T.Prosdocimi,
S.Donini,
E.Parisini,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
49.33 /
2.10
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
64.672,
98.669,
119.644,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
16.6 /
21.9
|
Other elements in 6f8u:
The structure of Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B
(pdb code 6f8u). 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 the PDE4D Catalytic Domain in Complex with Gebr- 20B, PDB code: 6f8u:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 6f8u
Go back to
Fluorine Binding Sites List in 6f8u
Fluorine binding site 1 out
of 6 in the Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F606
b:23.7
occ:0.78
|
F01
|
A:CZQ606
|
0.0
|
23.7
|
0.8
|
|
C17
|
A:CZQ606
|
1.3
|
19.4
|
0.8
|
|
H17
|
A:CZQ606
|
1.9
|
23.2
|
0.8
|
|
F02
|
A:CZQ606
|
2.0
|
18.6
|
0.8
|
|
O03
|
A:CZQ606
|
2.2
|
18.9
|
0.8
|
|
H18
|
A:CZQ606
|
2.6
|
21.1
|
0.8
|
|
C16
|
A:CZQ606
|
2.9
|
19.4
|
0.8
|
|
C18
|
A:CZQ606
|
3.0
|
17.6
|
0.8
|
|
CE1
|
A:TYR495
|
3.2
|
19.1
|
1.0
|
|
CB
|
A:ASN487
|
3.3
|
13.7
|
1.0
|
|
ND2
|
A:ASN487
|
3.6
|
13.5
|
1.0
|
|
CG
|
A:PRO488
|
3.7
|
19.9
|
1.0
|
|
OE1
|
A:GLN535
|
3.7
|
19.7
|
1.0
|
|
CD1
|
A:TYR495
|
3.8
|
15.7
|
1.0
|
|
CD
|
A:PRO488
|
3.8
|
15.2
|
1.0
|
|
CG
|
A:ASN487
|
4.0
|
20.4
|
1.0
|
|
CE2
|
A:PHE538
|
4.0
|
17.5
|
1.0
|
|
OG1
|
A:THR499
|
4.2
|
17.0
|
1.0
|
|
C09
|
A:CZQ606
|
4.2
|
21.2
|
0.8
|
|
N
|
A:PRO488
|
4.2
|
17.9
|
1.0
|
|
C19
|
A:CZQ606
|
4.3
|
17.7
|
0.8
|
|
CZ
|
A:TYR495
|
4.4
|
21.1
|
1.0
|
|
CD
|
A:GLN535
|
4.4
|
20.1
|
1.0
|
|
CA
|
A:ASN487
|
4.4
|
21.3
|
1.0
|
|
NE2
|
A:GLN535
|
4.4
|
19.2
|
1.0
|
|
CD2
|
A:PHE538
|
4.4
|
16.9
|
1.0
|
|
C
|
A:ASN487
|
4.5
|
16.2
|
1.0
|
|
OH
|
A:TYR495
|
4.6
|
19.4
|
1.0
|
|
O
|
A:HOH819
|
4.7
|
16.0
|
1.0
|
|
CB
|
A:TRP498
|
4.7
|
9.2
|
1.0
|
|
O02
|
A:CZQ606
|
4.8
|
18.0
|
0.8
|
|
H20
|
A:CZQ606
|
4.8
|
21.2
|
0.8
|
|
CB
|
A:PRO488
|
4.8
|
16.6
|
1.0
|
|
N
|
A:THR499
|
4.8
|
15.5
|
1.0
|
|
CA
|
A:PRO488
|
4.9
|
16.9
|
1.0
|
|
CA
|
A:THR499
|
5.0
|
15.0
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 6f8u
Go back to
Fluorine Binding Sites List in 6f8u
Fluorine binding site 2 out
of 6 in the Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F606
b:18.6
occ:0.78
|
F02
|
A:CZQ606
|
0.0
|
18.6
|
0.8
|
|
C17
|
A:CZQ606
|
1.0
|
19.4
|
0.8
|
|
H17
|
A:CZQ606
|
1.6
|
23.2
|
0.8
|
|
F01
|
A:CZQ606
|
2.0
|
23.7
|
0.8
|
|
O03
|
A:CZQ606
|
2.0
|
18.9
|
0.8
|
|
H18
|
A:CZQ606
|
2.4
|
21.1
|
0.8
|
|
C16
|
A:CZQ606
|
2.7
|
19.4
|
0.8
|
|
C18
|
A:CZQ606
|
2.9
|
17.6
|
0.8
|
|
N
|
A:THR499
|
3.4
|
15.5
|
1.0
|
|
C
|
A:TRP498
|
3.4
|
18.0
|
1.0
|
|
ND2
|
A:ASN487
|
3.4
|
13.5
|
1.0
|
|
O
|
A:TRP498
|
3.5
|
16.2
|
1.0
|
|
CA
|
A:THR499
|
3.5
|
15.0
|
1.0
|
|
CB
|
A:TRP498
|
3.7
|
9.2
|
1.0
|
|
OG1
|
A:THR499
|
3.7
|
17.0
|
1.0
|
|
CG2
|
A:ILE502
|
3.8
|
15.8
|
1.0
|
|
C09
|
A:CZQ606
|
4.0
|
21.2
|
0.8
|
|
CB
|
A:ASN487
|
4.0
|
13.7
|
1.0
|
|
CA
|
A:TRP498
|
4.2
|
17.0
|
1.0
|
|
CG
|
A:ASN487
|
4.2
|
20.4
|
1.0
|
|
C19
|
A:CZQ606
|
4.2
|
17.7
|
0.8
|
|
CB
|
A:THR499
|
4.3
|
19.4
|
1.0
|
|
CB
|
A:ILE502
|
4.3
|
19.4
|
1.0
|
|
CE1
|
A:TYR495
|
4.4
|
19.1
|
1.0
|
|
CE2
|
A:TYR325
|
4.4
|
19.5
|
1.0
|
|
NE2
|
A:GLN535
|
4.4
|
19.2
|
1.0
|
|
CD1
|
A:TYR495
|
4.6
|
15.7
|
1.0
|
|
O02
|
A:CZQ606
|
4.6
|
18.0
|
0.8
|
|
OE1
|
A:GLN535
|
4.6
|
19.7
|
1.0
|
|
H20
|
A:CZQ606
|
4.7
|
21.2
|
0.8
|
|
O
|
A:TYR495
|
4.7
|
15.4
|
1.0
|
|
C
|
A:THR499
|
4.8
|
19.4
|
1.0
|
|
CD
|
A:GLN535
|
4.8
|
20.1
|
1.0
|
|
CG
|
A:TRP498
|
4.9
|
13.3
|
1.0
|
|
CD2
|
A:TYR325
|
5.0
|
10.5
|
1.0
|
|
Fluorine binding site 3 out
of 6 in 6f8u
Go back to
Fluorine Binding Sites List in 6f8u
Fluorine binding site 3 out
of 6 in the Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F603
b:25.9
occ:0.35
|
F01
|
B:CZQ603
|
0.0
|
25.9
|
0.3
|
|
F01
|
B:CZQ604
|
0.1
|
25.7
|
0.5
|
|
C17
|
B:CZQ604
|
1.3
|
27.2
|
0.5
|
|
C17
|
B:CZQ603
|
1.4
|
27.1
|
0.3
|
|
F02
|
B:CZQ604
|
1.8
|
25.0
|
0.5
|
|
H17
|
B:CZQ604
|
1.9
|
32.6
|
0.5
|
|
H17
|
B:CZQ603
|
1.9
|
32.5
|
0.3
|
|
F02
|
B:CZQ603
|
2.0
|
24.7
|
0.3
|
|
O03
|
B:CZQ604
|
2.2
|
25.4
|
0.5
|
|
O03
|
B:CZQ603
|
2.2
|
25.5
|
0.3
|
|
H18
|
B:CZQ604
|
2.4
|
29.1
|
0.5
|
|
H18
|
B:CZQ603
|
2.6
|
29.2
|
0.3
|
|
C16
|
B:CZQ604
|
2.8
|
26.1
|
0.5
|
|
C16
|
B:CZQ603
|
2.8
|
26.1
|
0.3
|
|
C18
|
B:CZQ604
|
2.9
|
24.3
|
0.5
|
|
C18
|
B:CZQ603
|
2.9
|
24.3
|
0.3
|
|
CB
|
B:ASN487
|
3.1
|
16.5
|
1.0
|
|
CE1
|
B:TYR495
|
3.3
|
17.6
|
1.0
|
|
OD1
|
B:ASN487
|
3.5
|
17.0
|
1.0
|
|
CG
|
B:PRO488
|
3.7
|
15.9
|
1.0
|
|
CD
|
B:PRO488
|
3.8
|
11.9
|
1.0
|
|
CG
|
B:ASN487
|
3.8
|
20.6
|
1.0
|
|
OE1
|
B:GLN535
|
3.8
|
21.8
|
1.0
|
|
CD1
|
B:TYR495
|
3.9
|
20.8
|
1.0
|
|
CE2
|
B:PHE538
|
4.0
|
22.0
|
1.0
|
|
C09
|
B:CZQ603
|
4.0
|
26.1
|
0.3
|
|
C09
|
B:CZQ604
|
4.0
|
26.1
|
0.5
|
|
C19
|
B:CZQ604
|
4.2
|
27.9
|
0.5
|
|
OG1
|
B:THR499
|
4.2
|
17.4
|
1.0
|
|
C19
|
B:CZQ603
|
4.2
|
27.9
|
0.3
|
|
N
|
B:PRO488
|
4.3
|
13.3
|
1.0
|
|
CA
|
B:ASN487
|
4.4
|
15.8
|
1.0
|
|
CZ
|
B:TYR495
|
4.4
|
20.7
|
1.0
|
|
C
|
B:ASN487
|
4.5
|
16.4
|
1.0
|
|
CD2
|
B:PHE538
|
4.5
|
18.6
|
1.0
|
|
CB
|
B:TRP498
|
4.5
|
13.9
|
1.0
|
|
CD
|
B:GLN535
|
4.5
|
20.8
|
1.0
|
|
O02
|
B:CZQ603
|
4.6
|
27.0
|
0.3
|
|
H20
|
B:CZQ604
|
4.6
|
33.5
|
0.5
|
|
O
|
B:HOH773
|
4.6
|
18.9
|
1.0
|
|
NE2
|
B:GLN535
|
4.6
|
28.6
|
1.0
|
|
O02
|
B:CZQ604
|
4.6
|
27.0
|
0.5
|
|
H20
|
B:CZQ603
|
4.7
|
33.5
|
0.3
|
|
OH
|
B:TYR495
|
4.7
|
18.4
|
1.0
|
|
N
|
B:THR499
|
4.8
|
18.6
|
1.0
|
|
CB
|
B:PRO488
|
4.9
|
13.7
|
1.0
|
|
CA
|
B:THR499
|
4.9
|
17.9
|
1.0
|
|
C
|
B:TRP498
|
5.0
|
17.4
|
1.0
|
|
CA
|
B:PRO488
|
5.0
|
13.1
|
1.0
|
|
Fluorine binding site 4 out
of 6 in 6f8u
Go back to
Fluorine Binding Sites List in 6f8u
Fluorine binding site 4 out
of 6 in the Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F603
b:24.7
occ:0.35
|
F02
|
B:CZQ603
|
0.0
|
24.7
|
0.3
|
|
F02
|
B:CZQ604
|
0.2
|
25.0
|
0.5
|
|
C17
|
B:CZQ603
|
1.0
|
27.1
|
0.3
|
|
C17
|
B:CZQ604
|
1.1
|
27.2
|
0.5
|
|
H17
|
B:CZQ603
|
1.6
|
32.5
|
0.3
|
|
H17
|
B:CZQ604
|
1.7
|
32.6
|
0.5
|
|
F01
|
B:CZQ603
|
2.0
|
25.9
|
0.3
|
|
O03
|
B:CZQ603
|
2.0
|
25.5
|
0.3
|
|
O03
|
B:CZQ604
|
2.1
|
25.4
|
0.5
|
|
F01
|
B:CZQ604
|
2.1
|
25.7
|
0.5
|
|
H18
|
B:CZQ604
|
2.4
|
29.1
|
0.5
|
|
H18
|
B:CZQ603
|
2.5
|
29.2
|
0.3
|
|
C16
|
B:CZQ603
|
2.8
|
26.1
|
0.3
|
|
C16
|
B:CZQ604
|
2.8
|
26.1
|
0.5
|
|
C18
|
B:CZQ604
|
2.9
|
24.3
|
0.5
|
|
C18
|
B:CZQ603
|
3.0
|
24.3
|
0.3
|
|
C
|
B:TRP498
|
3.2
|
17.4
|
1.0
|
|
O
|
B:TRP498
|
3.3
|
17.8
|
1.0
|
|
N
|
B:THR499
|
3.3
|
18.6
|
1.0
|
|
CA
|
B:THR499
|
3.4
|
17.9
|
1.0
|
|
CB
|
B:TRP498
|
3.5
|
13.9
|
1.0
|
|
OD1
|
B:ASN487
|
3.6
|
17.0
|
1.0
|
|
OG1
|
B:THR499
|
3.6
|
17.4
|
1.0
|
|
CG2
|
B:ILE502
|
3.9
|
20.9
|
1.0
|
|
CA
|
B:TRP498
|
4.0
|
20.1
|
1.0
|
|
CB
|
B:ASN487
|
4.1
|
16.5
|
1.0
|
|
C09
|
B:CZQ603
|
4.1
|
26.1
|
0.3
|
|
C09
|
B:CZQ604
|
4.1
|
26.1
|
0.5
|
|
CB
|
B:THR499
|
4.2
|
20.5
|
1.0
|
|
CG
|
B:ASN487
|
4.2
|
20.6
|
1.0
|
|
CE2
|
B:TYR325
|
4.3
|
11.9
|
1.0
|
|
C19
|
B:CZQ604
|
4.3
|
27.9
|
0.5
|
|
CB
|
B:ILE502
|
4.3
|
22.0
|
1.0
|
|
C19
|
B:CZQ603
|
4.3
|
27.9
|
0.3
|
|
CE1
|
B:TYR495
|
4.3
|
17.6
|
1.0
|
|
O02
|
B:CZQ603
|
4.6
|
27.0
|
0.3
|
|
NE2
|
B:GLN535
|
4.6
|
28.6
|
1.0
|
|
CD1
|
B:TYR495
|
4.6
|
20.8
|
1.0
|
|
O
|
B:TYR495
|
4.6
|
19.3
|
1.0
|
|
O02
|
B:CZQ604
|
4.6
|
27.0
|
0.5
|
|
C
|
B:THR499
|
4.7
|
22.2
|
1.0
|
|
OE1
|
B:GLN535
|
4.7
|
21.8
|
1.0
|
|
H20
|
B:CZQ604
|
4.7
|
33.5
|
0.5
|
|
H20
|
B:CZQ603
|
4.8
|
33.5
|
0.3
|
|
CG
|
B:TRP498
|
4.8
|
11.7
|
1.0
|
|
CD2
|
B:TYR325
|
4.9
|
14.9
|
1.0
|
|
CD
|
B:GLN535
|
4.9
|
20.8
|
1.0
|
|
Fluorine binding site 5 out
of 6 in 6f8u
Go back to
Fluorine Binding Sites List in 6f8u
Fluorine binding site 5 out
of 6 in the Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F604
b:25.7
occ:0.48
|
F01
|
B:CZQ604
|
0.0
|
25.7
|
0.5
|
|
F01
|
B:CZQ603
|
0.1
|
25.9
|
0.3
|
|
C17
|
B:CZQ604
|
1.4
|
27.2
|
0.5
|
|
C17
|
B:CZQ603
|
1.5
|
27.1
|
0.3
|
|
H17
|
B:CZQ604
|
1.9
|
32.6
|
0.5
|
|
F02
|
B:CZQ604
|
2.0
|
25.0
|
0.5
|
|
H17
|
B:CZQ603
|
2.0
|
32.5
|
0.3
|
|
F02
|
B:CZQ603
|
2.1
|
24.7
|
0.3
|
|
O03
|
B:CZQ604
|
2.2
|
25.4
|
0.5
|
|
O03
|
B:CZQ603
|
2.3
|
25.5
|
0.3
|
|
H18
|
B:CZQ604
|
2.5
|
29.1
|
0.5
|
|
H18
|
B:CZQ603
|
2.6
|
29.2
|
0.3
|
|
C16
|
B:CZQ604
|
2.8
|
26.1
|
0.5
|
|
C16
|
B:CZQ603
|
2.8
|
26.1
|
0.3
|
|
C18
|
B:CZQ604
|
2.9
|
24.3
|
0.5
|
|
C18
|
B:CZQ603
|
3.0
|
24.3
|
0.3
|
|
CB
|
B:ASN487
|
3.2
|
16.5
|
1.0
|
|
CE1
|
B:TYR495
|
3.3
|
17.6
|
1.0
|
|
OD1
|
B:ASN487
|
3.6
|
17.0
|
1.0
|
|
CG
|
B:PRO488
|
3.6
|
15.9
|
1.0
|
|
CD
|
B:PRO488
|
3.7
|
11.9
|
1.0
|
|
OE1
|
B:GLN535
|
3.8
|
21.8
|
1.0
|
|
CG
|
B:ASN487
|
3.9
|
20.6
|
1.0
|
|
CD1
|
B:TYR495
|
3.9
|
20.8
|
1.0
|
|
CE2
|
B:PHE538
|
3.9
|
22.0
|
1.0
|
|
C09
|
B:CZQ603
|
4.0
|
26.1
|
0.3
|
|
C09
|
B:CZQ604
|
4.0
|
26.1
|
0.5
|
|
C19
|
B:CZQ604
|
4.2
|
27.9
|
0.5
|
|
N
|
B:PRO488
|
4.2
|
13.3
|
1.0
|
|
C19
|
B:CZQ603
|
4.2
|
27.9
|
0.3
|
|
OG1
|
B:THR499
|
4.3
|
17.4
|
1.0
|
|
CA
|
B:ASN487
|
4.4
|
15.8
|
1.0
|
|
CZ
|
B:TYR495
|
4.4
|
20.7
|
1.0
|
|
CD2
|
B:PHE538
|
4.4
|
18.6
|
1.0
|
|
C
|
B:ASN487
|
4.5
|
16.4
|
1.0
|
|
CD
|
B:GLN535
|
4.5
|
20.8
|
1.0
|
|
O02
|
B:CZQ603
|
4.6
|
27.0
|
0.3
|
|
O
|
B:HOH773
|
4.6
|
18.9
|
1.0
|
|
OH
|
B:TYR495
|
4.6
|
18.4
|
1.0
|
|
H20
|
B:CZQ604
|
4.6
|
33.5
|
0.5
|
|
O02
|
B:CZQ604
|
4.6
|
27.0
|
0.5
|
|
NE2
|
B:GLN535
|
4.6
|
28.6
|
1.0
|
|
CB
|
B:TRP498
|
4.7
|
13.9
|
1.0
|
|
H20
|
B:CZQ603
|
4.7
|
33.5
|
0.3
|
|
CB
|
B:PRO488
|
4.8
|
13.7
|
1.0
|
|
CA
|
B:PRO488
|
4.9
|
13.1
|
1.0
|
|
N
|
B:THR499
|
5.0
|
18.6
|
1.0
|
|
N
|
B:ASN487
|
5.0
|
13.3
|
1.0
|
|
CZ
|
B:PHE538
|
5.0
|
19.3
|
1.0
|
|
Fluorine binding site 6 out
of 6 in 6f8u
Go back to
Fluorine Binding Sites List in 6f8u
Fluorine binding site 6 out
of 6 in the Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Crystal Structure of the PDE4D Catalytic Domain in Complex with Gebr- 20B within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F604
b:25.0
occ:0.48
|
F02
|
B:CZQ604
|
0.0
|
25.0
|
0.5
|
|
F02
|
B:CZQ603
|
0.2
|
24.7
|
0.3
|
|
C17
|
B:CZQ603
|
0.8
|
27.1
|
0.3
|
|
C17
|
B:CZQ604
|
1.0
|
27.2
|
0.5
|
|
H17
|
B:CZQ603
|
1.5
|
32.5
|
0.3
|
|
H17
|
B:CZQ604
|
1.6
|
32.6
|
0.5
|
|
F01
|
B:CZQ603
|
1.8
|
25.9
|
0.3
|
|
O03
|
B:CZQ603
|
1.9
|
25.5
|
0.3
|
|
F01
|
B:CZQ604
|
2.0
|
25.7
|
0.5
|
|
O03
|
B:CZQ604
|
2.0
|
25.4
|
0.5
|
|
H18
|
B:CZQ604
|
2.5
|
29.1
|
0.5
|
|
H18
|
B:CZQ603
|
2.5
|
29.2
|
0.3
|
|
C16
|
B:CZQ603
|
2.7
|
26.1
|
0.3
|
|
C16
|
B:CZQ604
|
2.7
|
26.1
|
0.5
|
|
C18
|
B:CZQ604
|
2.9
|
24.3
|
0.5
|
|
C18
|
B:CZQ603
|
3.0
|
24.3
|
0.3
|
|
C
|
B:TRP498
|
3.3
|
17.4
|
1.0
|
|
N
|
B:THR499
|
3.4
|
18.6
|
1.0
|
|
O
|
B:TRP498
|
3.4
|
17.8
|
1.0
|
|
CA
|
B:THR499
|
3.5
|
17.9
|
1.0
|
|
OG1
|
B:THR499
|
3.6
|
17.4
|
1.0
|
|
OD1
|
B:ASN487
|
3.6
|
17.0
|
1.0
|
|
CB
|
B:TRP498
|
3.6
|
13.9
|
1.0
|
|
CG2
|
B:ILE502
|
3.9
|
20.9
|
1.0
|
|
C09
|
B:CZQ603
|
4.0
|
26.1
|
0.3
|
|
CB
|
B:ASN487
|
4.0
|
16.5
|
1.0
|
|
C09
|
B:CZQ604
|
4.1
|
26.1
|
0.5
|
|
CA
|
B:TRP498
|
4.1
|
20.1
|
1.0
|
|
CB
|
B:THR499
|
4.1
|
20.5
|
1.0
|
|
CE1
|
B:TYR495
|
4.2
|
17.6
|
1.0
|
|
CG
|
B:ASN487
|
4.2
|
20.6
|
1.0
|
|
C19
|
B:CZQ604
|
4.3
|
27.9
|
0.5
|
|
C19
|
B:CZQ603
|
4.3
|
27.9
|
0.3
|
|
CE2
|
B:TYR325
|
4.4
|
11.9
|
1.0
|
|
CB
|
B:ILE502
|
4.4
|
22.0
|
1.0
|
|
NE2
|
B:GLN535
|
4.5
|
28.6
|
1.0
|
|
CD1
|
B:TYR495
|
4.5
|
20.8
|
1.0
|
|
O02
|
B:CZQ603
|
4.5
|
27.0
|
0.3
|
|
OE1
|
B:GLN535
|
4.5
|
21.8
|
1.0
|
|
O02
|
B:CZQ604
|
4.6
|
27.0
|
0.5
|
|
O
|
B:TYR495
|
4.6
|
19.3
|
1.0
|
|
C
|
B:THR499
|
4.7
|
22.2
|
1.0
|
|
H20
|
B:CZQ604
|
4.8
|
33.5
|
0.5
|
|
CD
|
B:GLN535
|
4.8
|
20.8
|
1.0
|
|
H20
|
B:CZQ603
|
4.8
|
33.5
|
0.3
|
|
CG
|
B:TRP498
|
4.9
|
11.7
|
1.0
|
|
Reference:
T.Prosdocimi,
L.Mollica,
S.Donini,
M.S.Semrau,
A.P.Lucarelli,
E.Aiolfi,
A.Cavalli,
P.Storici,
S.Alfei,
C.Brullo,
O.Bruno,
E.Parisini.
Molecular Bases of PDE4D Inhibition By Memory-Enhancing Gebr Library Compounds. Biochemistry V. 57 2876 2018.
ISSN: ISSN 1520-4995
PubMed: 29652483
DOI: 10.1021/ACS.BIOCHEM.8B00288
Page generated: Thu Aug 1 19:53:03 2024
|
