Zinc in PDB 6fe7: Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-356
Enzymatic activity of Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-356
All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-356:
3.1.4.53;
Protein crystallography data
The structure of Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-356, PDB code: 6fe7
was solved by
A.K.Singh,
D.G.Brown,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
54.30 /
2.00
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
98.220,
111.030,
160.960,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17 /
20
|
Other elements in 6fe7:
The structure of Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-356 also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-356
(pdb code 6fe7). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the
Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-356, PDB code: 6fe7:
Jump to Zinc binding site number:
1;
2;
3;
4;
Zinc binding site 1 out
of 4 in 6fe7
Go back to
Zinc Binding Sites List in 6fe7
Zinc binding site 1 out
of 4 in the Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-356
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-356 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn501
b:33.4
occ:1.00
|
OD2
|
A:ASP201
|
1.4
|
26.7
|
1.0
|
OD1
|
A:ASP318
|
2.2
|
29.5
|
1.0
|
NE2
|
A:HIS164
|
2.2
|
25.7
|
1.0
|
O
|
A:HOH629
|
2.3
|
25.6
|
1.0
|
NE2
|
A:HIS200
|
2.4
|
25.9
|
1.0
|
O
|
A:HOH688
|
2.4
|
31.3
|
1.0
|
CG
|
A:ASP201
|
2.7
|
28.1
|
1.0
|
CG
|
A:ASP318
|
3.1
|
28.9
|
1.0
|
CD2
|
A:HIS200
|
3.1
|
26.7
|
1.0
|
CD2
|
A:HIS164
|
3.2
|
28.1
|
1.0
|
CE1
|
A:HIS164
|
3.2
|
26.6
|
1.0
|
OD2
|
A:ASP318
|
3.3
|
32.8
|
1.0
|
OD1
|
A:ASP201
|
3.3
|
29.2
|
1.0
|
CE1
|
A:HIS200
|
3.4
|
27.2
|
1.0
|
MG
|
A:MG502
|
3.8
|
19.3
|
1.0
|
O
|
A:HOH719
|
3.9
|
24.8
|
1.0
|
CB
|
A:ASP201
|
4.0
|
25.2
|
1.0
|
CD2
|
A:HIS160
|
4.2
|
31.9
|
1.0
|
O
|
A:HOH673
|
4.2
|
35.1
|
1.0
|
CG
|
A:HIS200
|
4.3
|
25.6
|
1.0
|
ND1
|
A:HIS164
|
4.3
|
25.5
|
1.0
|
CG
|
A:HIS164
|
4.4
|
24.9
|
1.0
|
NE2
|
A:HIS160
|
4.4
|
29.6
|
1.0
|
ND1
|
A:HIS200
|
4.4
|
26.2
|
1.0
|
CB
|
A:ASP318
|
4.5
|
29.3
|
1.0
|
O
|
A:HOH634
|
4.7
|
23.8
|
1.0
|
CG2
|
A:VAL168
|
4.7
|
28.4
|
1.0
|
C21
|
A:D62520
|
4.9
|
33.5
|
1.0
|
CA
|
A:ASP318
|
5.0
|
28.1
|
1.0
|
|
Zinc binding site 2 out
of 4 in 6fe7
Go back to
Zinc Binding Sites List in 6fe7
Zinc binding site 2 out
of 4 in the Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-356
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-356 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn501
b:33.4
occ:1.00
|
O
|
B:HOH616
|
2.0
|
25.9
|
1.0
|
OD2
|
B:ASP201
|
2.1
|
29.2
|
1.0
|
NE2
|
B:HIS164
|
2.2
|
25.7
|
1.0
|
OD1
|
B:ASP318
|
2.2
|
28.1
|
1.0
|
NE2
|
B:HIS200
|
2.3
|
26.6
|
1.0
|
O
|
B:HOH688
|
2.3
|
24.7
|
1.0
|
CG
|
B:ASP318
|
3.1
|
32.7
|
1.0
|
CD2
|
B:HIS200
|
3.1
|
30.4
|
1.0
|
CE1
|
B:HIS164
|
3.1
|
28.1
|
1.0
|
CG
|
B:ASP201
|
3.1
|
26.9
|
1.0
|
CD2
|
B:HIS164
|
3.2
|
25.9
|
1.0
|
CE1
|
B:HIS200
|
3.3
|
30.6
|
1.0
|
OD2
|
B:ASP318
|
3.4
|
29.1
|
1.0
|
OD1
|
B:ASP201
|
3.6
|
28.8
|
1.0
|
MG
|
B:MG502
|
3.8
|
22.4
|
1.0
|
O
|
B:HOH724
|
4.0
|
27.0
|
1.0
|
CD2
|
B:HIS160
|
4.1
|
32.6
|
1.0
|
O
|
B:HOH654
|
4.2
|
28.6
|
1.0
|
ND1
|
B:HIS164
|
4.3
|
27.4
|
1.0
|
CG
|
B:HIS164
|
4.3
|
28.1
|
1.0
|
CG
|
B:HIS200
|
4.3
|
28.2
|
1.0
|
CB
|
B:ASP201
|
4.3
|
28.8
|
1.0
|
NE2
|
B:HIS160
|
4.4
|
34.0
|
1.0
|
ND1
|
B:HIS200
|
4.4
|
28.6
|
1.0
|
CB
|
B:ASP318
|
4.5
|
31.9
|
1.0
|
CG2
|
B:VAL168
|
4.7
|
30.1
|
1.0
|
O
|
B:HOH645
|
4.7
|
24.7
|
1.0
|
CA
|
B:ASP318
|
5.0
|
31.0
|
1.0
|
|
Zinc binding site 3 out
of 4 in 6fe7
Go back to
Zinc Binding Sites List in 6fe7
Zinc binding site 3 out
of 4 in the Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-356
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-356 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn505
b:33.7
occ:1.00
|
OD1
|
C:ASP318
|
2.2
|
27.4
|
1.0
|
OD2
|
C:ASP201
|
2.2
|
25.8
|
1.0
|
O
|
C:HOH611
|
2.2
|
24.7
|
1.0
|
NE2
|
C:HIS164
|
2.2
|
30.8
|
1.0
|
O
|
C:HOH655
|
2.2
|
27.8
|
1.0
|
NE2
|
C:HIS200
|
2.3
|
29.0
|
1.0
|
CG
|
C:ASP318
|
3.1
|
32.8
|
1.0
|
CD2
|
C:HIS200
|
3.1
|
25.3
|
1.0
|
CG
|
C:ASP201
|
3.2
|
27.4
|
1.0
|
CE1
|
C:HIS164
|
3.2
|
27.4
|
1.0
|
CD2
|
C:HIS164
|
3.2
|
29.8
|
1.0
|
OD2
|
C:ASP318
|
3.3
|
31.9
|
1.0
|
CE1
|
C:HIS200
|
3.3
|
29.3
|
1.0
|
OD1
|
C:ASP201
|
3.6
|
27.0
|
1.0
|
MG
|
C:MG506
|
3.8
|
21.5
|
1.0
|
O
|
C:HOH681
|
4.0
|
26.9
|
1.0
|
CD2
|
C:HIS160
|
4.1
|
33.8
|
1.0
|
O
|
C:HOH644
|
4.1
|
30.4
|
1.0
|
CG
|
C:HIS200
|
4.3
|
25.5
|
1.0
|
ND1
|
C:HIS164
|
4.3
|
27.2
|
1.0
|
CG
|
C:HIS164
|
4.4
|
25.5
|
1.0
|
NE2
|
C:HIS160
|
4.4
|
30.3
|
1.0
|
ND1
|
C:HIS200
|
4.4
|
27.4
|
1.0
|
CB
|
C:ASP201
|
4.4
|
27.3
|
1.0
|
CB
|
C:ASP318
|
4.5
|
30.6
|
1.0
|
O
|
C:HOH627
|
4.7
|
27.0
|
1.0
|
CG2
|
C:VAL168
|
4.7
|
30.1
|
1.0
|
CA
|
C:ASP318
|
5.0
|
30.8
|
1.0
|
C21
|
C:D62520
|
5.0
|
37.0
|
1.0
|
|
Zinc binding site 4 out
of 4 in 6fe7
Go back to
Zinc Binding Sites List in 6fe7
Zinc binding site 4 out
of 4 in the Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-356
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-356 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn502
b:30.5
occ:1.00
|
OD2
|
D:ASP201
|
2.2
|
22.6
|
1.0
|
OD1
|
D:ASP318
|
2.2
|
25.8
|
1.0
|
NE2
|
D:HIS164
|
2.2
|
22.2
|
1.0
|
NE2
|
D:HIS200
|
2.3
|
24.5
|
1.0
|
O
|
D:HOH637
|
2.3
|
24.0
|
1.0
|
O
|
D:HOH705
|
2.3
|
25.6
|
1.0
|
CG
|
D:ASP318
|
3.1
|
26.6
|
1.0
|
CD2
|
D:HIS200
|
3.1
|
22.8
|
1.0
|
CG
|
D:ASP201
|
3.1
|
25.6
|
1.0
|
CE1
|
D:HIS164
|
3.2
|
22.4
|
1.0
|
CD2
|
D:HIS164
|
3.2
|
23.9
|
1.0
|
CE1
|
D:HIS200
|
3.3
|
25.8
|
1.0
|
OD2
|
D:ASP318
|
3.4
|
28.4
|
1.0
|
OD1
|
D:ASP201
|
3.6
|
25.2
|
1.0
|
MG
|
D:MG503
|
3.8
|
19.0
|
1.0
|
O
|
D:HOH749
|
3.9
|
24.9
|
1.0
|
CD2
|
D:HIS160
|
4.1
|
31.4
|
1.0
|
O
|
D:HOH676
|
4.2
|
26.0
|
1.0
|
ND1
|
D:HIS164
|
4.3
|
21.7
|
1.0
|
CG
|
D:HIS200
|
4.3
|
23.8
|
1.0
|
CB
|
D:ASP201
|
4.3
|
24.7
|
1.0
|
CG
|
D:HIS164
|
4.3
|
23.8
|
1.0
|
NE2
|
D:HIS160
|
4.4
|
30.0
|
1.0
|
ND1
|
D:HIS200
|
4.4
|
22.4
|
1.0
|
CB
|
D:ASP318
|
4.5
|
28.3
|
1.0
|
CG2
|
D:VAL168
|
4.7
|
22.5
|
1.0
|
O
|
D:HOH638
|
4.7
|
22.4
|
1.0
|
C21
|
D:D62517
|
4.9
|
30.2
|
1.0
|
CA
|
D:ASP318
|
4.9
|
25.0
|
1.0
|
|
Reference:
I.G.Salado,
C.Moreno,
G.Sakaine,
A.K.Singh,
A.R.Blaazer,
M.Siderius,
A.Matheeussen,
S.Gul,
L.Maes,
R.Leurs,
D.G.Brown,
K.Augustyns.
HPDE4D2 Structure with Inhibitor Npd-356 To Be Published.
Page generated: Mon Oct 28 20:55:30 2024
|