Magnesium in PDB 1so2: Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor
Enzymatic activity of Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor
All present enzymatic activity of Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor:
3.1.4.17;
Protein crystallography data
The structure of Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor, PDB code: 1so2
was solved by
G.Scapin,
S.B.Patel,
C.Chung,
J.P.Varnerin,
S.D.Edmondson,
A.Mastracchio,
E.R.Parmee,
J.W.Becker,
S.B.Singh,
L.H.Van Derploeg,
M.R.Tota,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
2.40
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
147.482,
121.772,
126.671,
90.00,
100.74,
90.00
|
R / Rfree (%)
|
n/a /
n/a
|
Other elements in 1so2:
The structure of Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor
(pdb code 1so2). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 9 binding sites of Magnesium where determined in the
Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor, PDB code: 1so2:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Magnesium binding site 1 out
of 9 in 1so2
Go back to
Magnesium Binding Sites List in 1so2
Magnesium binding site 1 out
of 9 in the Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg471
b:34.7
occ:1.00
|
OD2
|
A:ASP822
|
2.0
|
39.6
|
1.0
|
OD1
|
A:ASP937
|
2.0
|
32.5
|
1.0
|
O
|
A:HOH11
|
2.4
|
30.2
|
1.0
|
NE2
|
A:HIS741
|
2.4
|
35.8
|
1.0
|
NE2
|
A:HIS821
|
2.6
|
35.9
|
1.0
|
CG
|
A:ASP937
|
3.0
|
34.6
|
1.0
|
CD2
|
A:HIS741
|
3.1
|
34.0
|
1.0
|
CG
|
A:ASP822
|
3.1
|
36.3
|
1.0
|
CD2
|
A:HIS821
|
3.3
|
31.3
|
1.0
|
OD2
|
A:ASP937
|
3.4
|
37.0
|
1.0
|
O
|
A:HOH16
|
3.5
|
57.0
|
1.0
|
CE1
|
A:HIS741
|
3.6
|
34.4
|
1.0
|
OD1
|
A:ASP822
|
3.6
|
36.9
|
1.0
|
CE1
|
A:HIS821
|
3.6
|
32.1
|
1.0
|
MG
|
A:MG472
|
3.9
|
32.7
|
1.0
|
O
|
A:HOH15
|
3.9
|
26.8
|
1.0
|
CD2
|
A:HIS737
|
4.0
|
24.1
|
1.0
|
CG
|
A:HIS741
|
4.4
|
35.5
|
1.0
|
CB
|
A:ASP822
|
4.4
|
34.1
|
1.0
|
CB
|
A:ASP937
|
4.4
|
34.4
|
1.0
|
O
|
A:ASP937
|
4.5
|
31.7
|
1.0
|
O
|
A:HOH269
|
4.5
|
37.8
|
1.0
|
CG
|
A:HIS821
|
4.5
|
31.9
|
1.0
|
ND1
|
A:HIS741
|
4.6
|
36.4
|
1.0
|
NE2
|
A:HIS737
|
4.6
|
22.4
|
1.0
|
ND1
|
A:HIS821
|
4.7
|
31.2
|
1.0
|
CG2
|
A:VAL745
|
4.8
|
36.8
|
1.0
|
CA
|
A:ASP937
|
4.9
|
32.7
|
1.0
|
O
|
A:HOH14
|
4.9
|
31.2
|
1.0
|
|
Magnesium binding site 2 out
of 9 in 1so2
Go back to
Magnesium Binding Sites List in 1so2
Magnesium binding site 2 out
of 9 in the Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg472
b:32.7
occ:1.00
|
OD1
|
A:ASP822
|
1.9
|
36.9
|
1.0
|
O
|
A:HOH13
|
2.2
|
23.7
|
1.0
|
O
|
A:HOH15
|
2.3
|
26.8
|
1.0
|
O
|
A:HOH12
|
2.3
|
26.5
|
1.0
|
O
|
A:HOH14
|
2.3
|
31.2
|
1.0
|
O
|
A:HOH11
|
2.3
|
30.2
|
1.0
|
CG
|
A:ASP822
|
3.0
|
36.3
|
1.0
|
OD2
|
A:ASP822
|
3.4
|
39.6
|
1.0
|
O
|
A:HOH344
|
3.7
|
27.9
|
1.0
|
NE2
|
A:HIS854
|
3.8
|
23.1
|
1.0
|
MG
|
A:MG471
|
3.9
|
34.7
|
1.0
|
CD2
|
A:HIS825
|
4.0
|
25.6
|
1.0
|
O
|
A:HIS821
|
4.1
|
32.3
|
1.0
|
CD2
|
A:HIS854
|
4.2
|
21.7
|
1.0
|
O
|
A:HOH343
|
4.3
|
36.4
|
1.0
|
OE2
|
A:GLU851
|
4.3
|
26.4
|
1.0
|
CB
|
A:ASP822
|
4.3
|
34.1
|
1.0
|
NE2
|
A:HIS825
|
4.4
|
25.0
|
1.0
|
CD2
|
A:HIS821
|
4.4
|
31.3
|
1.0
|
OG1
|
A:THR893
|
4.5
|
24.4
|
1.0
|
O
|
A:HOH280
|
4.5
|
61.0
|
1.0
|
CA
|
A:ASP822
|
4.6
|
32.3
|
1.0
|
CD2
|
A:HIS737
|
4.6
|
24.1
|
1.0
|
O
|
A:HOH16
|
4.7
|
57.0
|
1.0
|
CE1
|
A:HIS854
|
4.8
|
23.0
|
1.0
|
NE2
|
A:HIS737
|
4.9
|
22.4
|
1.0
|
NE2
|
A:HIS821
|
4.9
|
35.9
|
1.0
|
OD2
|
A:ASP937
|
4.9
|
37.0
|
1.0
|
C
|
A:HIS821
|
5.0
|
31.3
|
1.0
|
|
Magnesium binding site 3 out
of 9 in 1so2
Go back to
Magnesium Binding Sites List in 1so2
Magnesium binding site 3 out
of 9 in the Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg479
b:39.1
occ:1.00
|
O
|
A:HOH51
|
2.0
|
26.1
|
1.0
|
OD1
|
A:ASN968
|
2.1
|
45.9
|
1.0
|
O
|
A:HOH53
|
2.2
|
33.8
|
1.0
|
O
|
A:HOH52
|
2.2
|
46.7
|
1.0
|
O
|
A:HOH54
|
2.3
|
35.8
|
1.0
|
CG
|
A:ASN968
|
3.1
|
44.8
|
1.0
|
O
|
A:HOH425
|
3.3
|
47.5
|
1.0
|
ND2
|
A:ASN968
|
3.5
|
42.7
|
1.0
|
O
|
A:ASP964
|
4.2
|
36.6
|
1.0
|
CB
|
A:ASN968
|
4.4
|
42.9
|
1.0
|
N
|
A:ASN968
|
4.7
|
41.0
|
1.0
|
CA
|
A:ASN968
|
4.7
|
42.4
|
1.0
|
|
Magnesium binding site 4 out
of 9 in 1so2
Go back to
Magnesium Binding Sites List in 1so2
Magnesium binding site 4 out
of 9 in the Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg473
b:23.6
occ:1.00
|
OD2
|
B:ASP822
|
1.9
|
37.0
|
1.0
|
OD1
|
B:ASP937
|
2.2
|
34.8
|
1.0
|
NE2
|
B:HIS821
|
2.4
|
30.4
|
1.0
|
NE2
|
B:HIS741
|
2.5
|
35.0
|
1.0
|
O
|
B:HOH21
|
2.5
|
26.4
|
1.0
|
CG
|
B:ASP822
|
3.0
|
31.0
|
1.0
|
CG
|
B:ASP937
|
3.1
|
32.5
|
1.0
|
CD2
|
B:HIS741
|
3.2
|
32.6
|
1.0
|
CD2
|
B:HIS821
|
3.3
|
27.3
|
1.0
|
OD2
|
B:ASP937
|
3.3
|
31.0
|
1.0
|
O
|
B:HOH25
|
3.3
|
43.8
|
1.0
|
CE1
|
B:HIS821
|
3.4
|
28.8
|
1.0
|
OD1
|
B:ASP822
|
3.5
|
31.1
|
1.0
|
CE1
|
B:HIS741
|
3.6
|
33.0
|
1.0
|
MG
|
B:MG474
|
3.7
|
33.4
|
1.0
|
O
|
B:HOH26
|
4.0
|
22.4
|
1.0
|
CD2
|
B:HIS737
|
4.1
|
23.2
|
1.0
|
CB
|
B:ASP822
|
4.3
|
31.4
|
1.0
|
O
|
B:HOH237
|
4.4
|
42.5
|
1.0
|
CG
|
B:HIS821
|
4.4
|
26.9
|
1.0
|
ND1
|
B:HIS821
|
4.5
|
30.2
|
1.0
|
CG
|
B:HIS741
|
4.5
|
34.0
|
1.0
|
O
|
B:ASP937
|
4.5
|
30.5
|
1.0
|
CB
|
B:ASP937
|
4.5
|
31.9
|
1.0
|
ND1
|
B:HIS741
|
4.6
|
33.8
|
1.0
|
NE2
|
B:HIS737
|
4.7
|
25.0
|
1.0
|
CG2
|
B:VAL745
|
4.8
|
34.2
|
1.0
|
O
|
B:HOH24
|
4.8
|
32.1
|
1.0
|
CA
|
B:ASP937
|
5.0
|
31.0
|
1.0
|
O
|
B:HOH345
|
5.0
|
41.7
|
1.0
|
|
Magnesium binding site 5 out
of 9 in 1so2
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Magnesium Binding Sites List in 1so2
Magnesium binding site 5 out
of 9 in the Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg474
b:33.4
occ:1.00
|
OD1
|
B:ASP822
|
1.8
|
31.1
|
1.0
|
O
|
B:HOH21
|
2.0
|
26.4
|
1.0
|
O
|
B:HOH23
|
2.0
|
19.9
|
1.0
|
O
|
B:HOH26
|
2.1
|
22.4
|
1.0
|
O
|
B:HOH24
|
2.2
|
32.1
|
1.0
|
O
|
B:HOH22
|
2.5
|
23.1
|
1.0
|
CG
|
B:ASP822
|
2.8
|
31.0
|
1.0
|
OD2
|
B:ASP822
|
3.2
|
37.0
|
1.0
|
MG
|
B:MG473
|
3.7
|
23.6
|
1.0
|
O
|
B:HOH177
|
3.8
|
25.3
|
1.0
|
NE2
|
B:HIS854
|
3.9
|
26.1
|
1.0
|
CD2
|
B:HIS825
|
4.1
|
26.4
|
1.0
|
O
|
B:HOH345
|
4.1
|
41.7
|
1.0
|
CB
|
B:ASP822
|
4.2
|
31.4
|
1.0
|
OE2
|
B:GLU851
|
4.2
|
31.8
|
1.0
|
CD2
|
B:HIS854
|
4.2
|
26.5
|
1.0
|
O
|
B:HIS821
|
4.2
|
29.9
|
1.0
|
CD2
|
B:HIS821
|
4.3
|
27.3
|
1.0
|
NE2
|
B:HIS825
|
4.3
|
27.7
|
1.0
|
OG1
|
B:THR893
|
4.4
|
26.6
|
1.0
|
CD2
|
B:HIS737
|
4.5
|
23.2
|
1.0
|
O
|
B:HOH25
|
4.5
|
43.8
|
1.0
|
CA
|
B:ASP822
|
4.5
|
31.5
|
1.0
|
NE2
|
B:HIS821
|
4.6
|
30.4
|
1.0
|
OD2
|
B:ASP937
|
4.6
|
31.0
|
1.0
|
NE2
|
B:HIS737
|
4.8
|
25.0
|
1.0
|
CB
|
B:THR893
|
5.0
|
26.0
|
1.0
|
C
|
B:HIS821
|
5.0
|
31.8
|
1.0
|
|
Magnesium binding site 6 out
of 9 in 1so2
Go back to
Magnesium Binding Sites List in 1so2
Magnesium binding site 6 out
of 9 in the Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg475
b:28.2
occ:1.00
|
O
|
C:HOH31
|
1.9
|
38.8
|
1.0
|
OD1
|
C:ASP937
|
2.1
|
33.8
|
1.0
|
OD2
|
C:ASP822
|
2.1
|
36.5
|
1.0
|
OD2
|
C:ASP937
|
2.7
|
34.4
|
1.0
|
CG
|
C:ASP937
|
2.7
|
33.9
|
1.0
|
NE2
|
C:HIS741
|
2.7
|
37.2
|
1.0
|
NE2
|
C:HIS821
|
2.8
|
44.2
|
1.0
|
CD2
|
C:HIS821
|
3.1
|
42.2
|
1.0
|
CG
|
C:ASP822
|
3.2
|
36.8
|
1.0
|
CD2
|
C:HIS741
|
3.3
|
38.5
|
1.0
|
O
|
C:HOH35
|
3.4
|
51.8
|
1.0
|
OD1
|
C:ASP822
|
3.6
|
37.2
|
1.0
|
MG
|
C:MG476
|
3.7
|
37.2
|
1.0
|
CE1
|
C:HIS741
|
3.9
|
36.4
|
1.0
|
CE1
|
C:HIS821
|
4.0
|
44.4
|
1.0
|
CD2
|
C:HIS737
|
4.1
|
41.8
|
1.0
|
CB
|
C:ASP937
|
4.2
|
35.5
|
1.0
|
CG
|
C:HIS821
|
4.4
|
44.1
|
1.0
|
CB
|
C:ASP822
|
4.5
|
37.3
|
1.0
|
NE2
|
C:HIS737
|
4.6
|
43.6
|
1.0
|
O
|
C:ASP937
|
4.6
|
34.8
|
1.0
|
CG
|
C:HIS741
|
4.6
|
37.4
|
1.0
|
O
|
C:HOH36
|
4.7
|
35.7
|
1.0
|
O
|
C:HOH32
|
4.8
|
29.5
|
1.0
|
ND1
|
C:HIS821
|
4.8
|
42.9
|
1.0
|
O
|
C:HOH353
|
4.8
|
48.4
|
1.0
|
CG2
|
C:VAL745
|
4.8
|
41.2
|
1.0
|
O
|
C:HOH34
|
4.8
|
38.9
|
1.0
|
CA
|
C:ASP937
|
4.9
|
36.9
|
1.0
|
ND1
|
C:HIS741
|
4.9
|
38.1
|
1.0
|
|
Magnesium binding site 7 out
of 9 in 1so2
Go back to
Magnesium Binding Sites List in 1so2
Magnesium binding site 7 out
of 9 in the Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg476
b:37.2
occ:1.00
|
OD1
|
C:ASP822
|
1.9
|
37.2
|
1.0
|
O
|
C:HOH31
|
2.0
|
38.8
|
1.0
|
O
|
C:HOH32
|
2.0
|
29.5
|
1.0
|
O
|
C:HOH33
|
2.1
|
26.8
|
1.0
|
O
|
C:HOH34
|
2.6
|
38.9
|
1.0
|
O
|
C:HOH36
|
2.7
|
35.7
|
1.0
|
CG
|
C:ASP822
|
3.0
|
36.8
|
1.0
|
OD2
|
C:ASP822
|
3.4
|
36.5
|
1.0
|
MG
|
C:MG475
|
3.7
|
28.2
|
1.0
|
O
|
C:HOH365
|
3.9
|
51.8
|
1.0
|
OE2
|
C:GLU851
|
4.1
|
44.7
|
1.0
|
CD2
|
C:HIS825
|
4.1
|
47.1
|
1.0
|
NE2
|
C:HIS854
|
4.1
|
39.4
|
1.0
|
O
|
C:HIS821
|
4.1
|
40.8
|
1.0
|
CB
|
C:ASP822
|
4.3
|
37.3
|
1.0
|
NE2
|
C:HIS825
|
4.3
|
47.5
|
1.0
|
CD2
|
C:HIS854
|
4.4
|
38.4
|
1.0
|
OG1
|
C:THR893
|
4.4
|
39.8
|
1.0
|
CD2
|
C:HIS737
|
4.4
|
41.8
|
1.0
|
OD2
|
C:ASP937
|
4.4
|
34.4
|
1.0
|
NE2
|
C:HIS737
|
4.6
|
43.6
|
1.0
|
O
|
C:HOH35
|
4.7
|
51.8
|
1.0
|
CA
|
C:ASP822
|
4.7
|
39.8
|
1.0
|
CD2
|
C:HIS821
|
4.8
|
42.2
|
1.0
|
O
|
C:THR893
|
4.9
|
44.8
|
1.0
|
CB
|
C:THR893
|
5.0
|
41.4
|
1.0
|
|
Magnesium binding site 8 out
of 9 in 1so2
Go back to
Magnesium Binding Sites List in 1so2
Magnesium binding site 8 out
of 9 in the Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg477
b:34.6
occ:1.00
|
OD1
|
D:ASP937
|
1.9
|
43.6
|
1.0
|
OD2
|
D:ASP822
|
2.1
|
32.0
|
1.0
|
O
|
D:HOH41
|
2.2
|
31.4
|
1.0
|
CG
|
D:ASP937
|
2.6
|
45.0
|
1.0
|
NE2
|
D:HIS741
|
2.6
|
39.9
|
1.0
|
OD2
|
D:ASP937
|
2.7
|
43.2
|
1.0
|
NE2
|
D:HIS821
|
2.7
|
52.3
|
1.0
|
CG
|
D:ASP822
|
3.2
|
34.6
|
1.0
|
O
|
D:HOH45
|
3.2
|
60.3
|
1.0
|
CD2
|
D:HIS821
|
3.3
|
49.7
|
1.0
|
CD2
|
D:HIS741
|
3.4
|
37.2
|
1.0
|
CE1
|
D:HIS821
|
3.5
|
51.8
|
1.0
|
MG
|
D:MG478
|
3.6
|
31.1
|
1.0
|
OD1
|
D:ASP822
|
3.7
|
33.3
|
1.0
|
CE1
|
D:HIS741
|
3.7
|
39.4
|
1.0
|
CD2
|
D:HIS737
|
4.0
|
38.2
|
1.0
|
CB
|
D:ASP937
|
4.0
|
45.3
|
1.0
|
CG
|
D:HIS821
|
4.3
|
50.8
|
1.0
|
ND1
|
D:HIS821
|
4.3
|
51.7
|
1.0
|
NE2
|
D:HIS737
|
4.4
|
37.7
|
1.0
|
CB
|
D:ASP822
|
4.5
|
36.7
|
1.0
|
O
|
D:ASP937
|
4.5
|
45.3
|
1.0
|
CG
|
D:HIS741
|
4.6
|
37.8
|
1.0
|
CA
|
D:ASP937
|
4.7
|
45.7
|
1.0
|
O
|
D:HOH44
|
4.7
|
30.3
|
1.0
|
ND1
|
D:HIS741
|
4.7
|
39.4
|
1.0
|
O
|
D:HOH42
|
4.8
|
24.3
|
1.0
|
CG2
|
D:VAL745
|
4.9
|
45.4
|
1.0
|
|
Magnesium binding site 9 out
of 9 in 1so2
Go back to
Magnesium Binding Sites List in 1so2
Magnesium binding site 9 out
of 9 in the Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Catalytic Domain of Human Phosphodiesterase 3B in Complex with A Dihydropyridazine Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg478
b:31.1
occ:1.00
|
O
|
D:HOH43
|
1.8
|
30.6
|
1.0
|
OD1
|
D:ASP822
|
1.8
|
33.3
|
1.0
|
O
|
D:HOH41
|
1.9
|
31.4
|
1.0
|
O
|
D:HOH42
|
2.0
|
24.3
|
1.0
|
O
|
D:HOH44
|
2.6
|
30.3
|
1.0
|
CG
|
D:ASP822
|
2.8
|
34.6
|
1.0
|
O
|
D:HOH46
|
2.9
|
43.7
|
1.0
|
OD2
|
D:ASP822
|
3.2
|
32.0
|
1.0
|
MG
|
D:MG477
|
3.6
|
34.6
|
1.0
|
O
|
D:HIS821
|
3.7
|
43.4
|
1.0
|
O
|
D:HOH346
|
3.7
|
36.0
|
1.0
|
NE2
|
D:HIS854
|
4.0
|
43.0
|
1.0
|
OE2
|
D:GLU851
|
4.1
|
49.1
|
1.0
|
CB
|
D:ASP822
|
4.2
|
36.7
|
1.0
|
CD2
|
D:HIS854
|
4.2
|
43.1
|
1.0
|
CD2
|
D:HIS825
|
4.2
|
45.1
|
1.0
|
OD2
|
D:ASP937
|
4.3
|
43.2
|
1.0
|
OG1
|
D:THR893
|
4.3
|
44.3
|
1.0
|
O
|
D:HOH45
|
4.3
|
60.3
|
1.0
|
O
|
D:HOH389
|
4.5
|
65.8
|
1.0
|
CA
|
D:ASP822
|
4.5
|
40.6
|
1.0
|
NE2
|
D:HIS825
|
4.5
|
46.5
|
1.0
|
CD2
|
D:HIS737
|
4.6
|
38.2
|
1.0
|
C
|
D:HIS821
|
4.6
|
43.9
|
1.0
|
NE2
|
D:HIS737
|
4.7
|
37.7
|
1.0
|
CD2
|
D:HIS821
|
4.8
|
49.7
|
1.0
|
CB
|
D:THR893
|
4.9
|
46.5
|
1.0
|
N
|
D:ASP822
|
5.0
|
41.4
|
1.0
|
|
Reference:
G.Scapin,
S.B.Patel,
C.Chung,
J.P.Varnerin,
S.D.Edmondson,
A.Mastracchio,
E.R.Parmee,
S.B.Singh,
J.W.Becker,
L.H.Van Der Ploeg,
M.R.Tota.
Crystal Structure of Human Phosphodiesterase 3B: Atomic Basis For Substrate and Inhibitor Specificity Biochemistry V. 43 6091 2004.
ISSN: ISSN 0006-2960
PubMed: 15147193
DOI: 10.1021/BI049868I
Page generated: Tue Aug 13 13:47:04 2024
|