Chlorine in PDB 5sid: Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole
Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole
All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole:
3.1.4.17;
Protein crystallography data
The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole, PDB code: 5sid
was solved by
C.Joseph,
J.Benz,
A.Flohr,
C.Lerner,
M.G.Rudolph,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
43.74 /
1.98
|
Space group
|
H 3
|
Cell size a, b, c (Å), α, β, γ (°)
|
135.693,
135.693,
235.636,
90,
90,
120
|
R / Rfree (%)
|
17.2 /
21.8
|
Other elements in 5sid:
The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole also contains other interesting chemical elements:
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Chlorine atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole
(pdb code 5sid). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the
Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole, PDB code: 5sid:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 12 in 5sid
Go back to
Chlorine Binding Sites List in 5sid
Chlorine binding site 1 out
of 12 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl803
b:63.5
occ:1.00
|
CL21
|
A:JO6803
|
0.0
|
63.5
|
1.0
|
C17
|
A:JO6803
|
1.7
|
40.0
|
1.0
|
C15
|
A:JO6803
|
2.7
|
38.5
|
1.0
|
C20
|
A:JO6803
|
2.7
|
45.7
|
1.0
|
CB
|
A:GLU721
|
3.2
|
46.5
|
1.0
|
O
|
A:LYS718
|
3.3
|
46.4
|
1.0
|
C
|
A:GLU721
|
3.5
|
37.9
|
1.0
|
O
|
A:HOH983
|
3.6
|
44.6
|
1.0
|
O
|
A:PRO712
|
3.6
|
34.1
|
1.0
|
O
|
A:GLU721
|
3.7
|
37.0
|
1.0
|
C
|
A:PRO712
|
3.8
|
33.1
|
1.0
|
CA
|
A:GLU721
|
3.9
|
39.0
|
1.0
|
N
|
A:VAL722
|
3.9
|
37.3
|
1.0
|
C13
|
A:JO6803
|
3.9
|
34.9
|
1.0
|
C16
|
A:JO6803
|
4.0
|
40.0
|
1.0
|
N
|
A:MET713
|
4.0
|
37.1
|
1.0
|
CB
|
A:PRO712
|
4.1
|
40.2
|
1.0
|
CA
|
A:VAL722
|
4.2
|
35.5
|
1.0
|
CA
|
A:MET713
|
4.2
|
39.1
|
1.0
|
OE1
|
A:GLU721
|
4.4
|
58.2
|
1.0
|
CG2
|
A:VAL722
|
4.4
|
35.3
|
1.0
|
N
|
A:GLU721
|
4.4
|
39.1
|
1.0
|
C14
|
A:JO6803
|
4.5
|
36.0
|
1.0
|
CG
|
A:GLU721
|
4.5
|
50.4
|
1.0
|
C
|
A:LYS718
|
4.5
|
42.4
|
1.0
|
CA
|
A:PRO712
|
4.5
|
38.3
|
1.0
|
CB
|
A:LYS718
|
4.6
|
49.6
|
1.0
|
CD
|
A:GLU721
|
4.7
|
57.4
|
1.0
|
|
Chlorine binding site 2 out
of 12 in 5sid
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Chlorine Binding Sites List in 5sid
Chlorine binding site 2 out
of 12 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl803
b:38.5
occ:1.00
|
CL23
|
A:JO6803
|
0.0
|
38.5
|
1.0
|
C2
|
A:JO6803
|
1.7
|
27.6
|
1.0
|
C1
|
A:JO6803
|
2.6
|
34.8
|
1.0
|
C3
|
A:JO6803
|
2.7
|
30.7
|
1.0
|
OG
|
A:SER677
|
3.1
|
26.9
|
0.5
|
C22
|
A:JO6803
|
3.2
|
34.2
|
1.0
|
O
|
A:HOH915
|
3.4
|
32.6
|
1.0
|
O
|
A:LEU675
|
3.5
|
24.7
|
1.0
|
CA
|
A:LEU675
|
3.8
|
27.1
|
1.0
|
CG1
|
A:VAL678
|
3.9
|
31.6
|
1.0
|
C4
|
A:JO6803
|
3.9
|
39.9
|
1.0
|
C
|
A:LEU675
|
3.9
|
26.4
|
1.0
|
N6
|
A:JO6803
|
4.0
|
31.8
|
1.0
|
CD2
|
A:LEU675
|
4.0
|
29.1
|
1.0
|
CB
|
A:SER677
|
4.1
|
28.3
|
0.5
|
CD1
|
A:ILE692
|
4.2
|
36.6
|
1.0
|
OH
|
A:TYR524
|
4.2
|
39.8
|
1.0
|
CB
|
A:SER677
|
4.3
|
28.0
|
0.5
|
O
|
A:HOH934
|
4.3
|
32.9
|
1.0
|
CB
|
A:LEU675
|
4.3
|
30.7
|
1.0
|
C5
|
A:JO6803
|
4.4
|
35.5
|
1.0
|
CE2
|
A:PHE729
|
4.5
|
30.9
|
1.0
|
OG
|
A:SER677
|
4.5
|
27.3
|
0.5
|
O
|
A:ASP674
|
4.6
|
24.7
|
1.0
|
N
|
A:SER677
|
4.7
|
25.7
|
1.0
|
CZ
|
A:PHE729
|
4.7
|
30.1
|
1.0
|
N
|
A:VAL678
|
4.7
|
27.6
|
1.0
|
CG
|
A:LEU675
|
4.8
|
30.9
|
1.0
|
CA
|
A:SER677
|
4.9
|
26.9
|
0.5
|
CA
|
A:SER677
|
4.9
|
26.8
|
0.5
|
|
Chlorine binding site 3 out
of 12 in 5sid
Go back to
Chlorine Binding Sites List in 5sid
Chlorine binding site 3 out
of 12 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl803
b:76.1
occ:1.00
|
CL24
|
A:JO6803
|
0.0
|
76.1
|
1.0
|
C4
|
A:JO6803
|
1.7
|
39.9
|
1.0
|
C1
|
A:JO6803
|
2.7
|
34.8
|
1.0
|
C5
|
A:JO6803
|
2.7
|
35.5
|
1.0
|
O
|
A:HOH1015
|
3.1
|
47.9
|
1.0
|
N9
|
A:JO6803
|
3.2
|
32.7
|
1.0
|
C2
|
A:JO6803
|
4.0
|
27.6
|
1.0
|
N6
|
A:JO6803
|
4.0
|
31.8
|
1.0
|
CD2
|
A:LEU635
|
4.0
|
42.6
|
1.0
|
CE1
|
A:PHE729
|
4.2
|
31.3
|
1.0
|
CZ
|
A:PHE729
|
4.3
|
30.1
|
1.0
|
CZ
|
A:PHE696
|
4.3
|
35.6
|
1.0
|
C8
|
A:JO6803
|
4.5
|
34.0
|
1.0
|
C3
|
A:JO6803
|
4.5
|
30.7
|
1.0
|
O
|
A:HOH934
|
4.7
|
32.9
|
1.0
|
CD2
|
A:LEU675
|
4.8
|
29.1
|
1.0
|
N7
|
A:JO6803
|
5.0
|
35.0
|
1.0
|
|
Chlorine binding site 4 out
of 12 in 5sid
Go back to
Chlorine Binding Sites List in 5sid
Chlorine binding site 4 out
of 12 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl803
b:72.2
occ:1.00
|
CL21
|
B:JO6803
|
0.0
|
72.2
|
1.0
|
C17
|
B:JO6803
|
1.7
|
50.3
|
1.0
|
C15
|
B:JO6803
|
2.6
|
45.2
|
1.0
|
C20
|
B:JO6803
|
2.7
|
44.8
|
1.0
|
CB
|
B:GLU721
|
3.2
|
39.3
|
1.0
|
O
|
B:LYS718
|
3.3
|
39.7
|
1.0
|
O
|
B:HOH966
|
3.3
|
40.7
|
1.0
|
C
|
B:GLU721
|
3.5
|
37.7
|
1.0
|
O
|
B:GLU721
|
3.5
|
35.9
|
1.0
|
O
|
B:PRO712
|
3.6
|
31.1
|
1.0
|
N
|
B:VAL722
|
3.8
|
33.7
|
1.0
|
CA
|
B:GLU721
|
3.8
|
34.8
|
1.0
|
C
|
B:PRO712
|
3.9
|
33.1
|
1.0
|
C13
|
B:JO6803
|
3.9
|
38.5
|
1.0
|
C16
|
B:JO6803
|
4.0
|
45.1
|
1.0
|
CA
|
B:VAL722
|
4.1
|
36.0
|
1.0
|
OE1
|
B:GLU721
|
4.1
|
59.7
|
1.0
|
CB
|
B:PRO712
|
4.2
|
37.3
|
1.0
|
N
|
B:MET713
|
4.2
|
34.9
|
1.0
|
CA
|
B:MET713
|
4.3
|
37.4
|
1.0
|
C
|
B:LYS718
|
4.3
|
37.4
|
1.0
|
CG2
|
B:VAL722
|
4.4
|
40.1
|
1.0
|
N
|
B:GLU721
|
4.4
|
33.9
|
1.0
|
C14
|
B:JO6803
|
4.4
|
42.8
|
1.0
|
CG
|
B:GLU721
|
4.4
|
44.3
|
1.0
|
CB
|
B:LYS718
|
4.5
|
37.8
|
1.0
|
O
|
B:HOH1021
|
4.6
|
47.4
|
1.0
|
CA
|
B:PRO712
|
4.7
|
36.8
|
1.0
|
CD
|
B:GLU721
|
4.7
|
46.3
|
1.0
|
CB
|
B:VAL722
|
4.9
|
38.5
|
1.0
|
|
Chlorine binding site 5 out
of 12 in 5sid
Go back to
Chlorine Binding Sites List in 5sid
Chlorine binding site 5 out
of 12 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl803
b:39.0
occ:1.00
|
CL23
|
B:JO6803
|
0.0
|
39.0
|
1.0
|
C2
|
B:JO6803
|
1.7
|
35.8
|
1.0
|
C1
|
B:JO6803
|
2.6
|
37.6
|
1.0
|
C3
|
B:JO6803
|
2.7
|
34.8
|
1.0
|
OG
|
B:SER677
|
3.0
|
30.2
|
0.5
|
C22
|
B:JO6803
|
3.3
|
32.8
|
1.0
|
O
|
B:LEU675
|
3.5
|
25.1
|
1.0
|
O
|
B:HOH927
|
3.6
|
36.9
|
1.0
|
C4
|
B:JO6803
|
3.8
|
40.6
|
1.0
|
CA
|
B:LEU675
|
3.9
|
25.5
|
1.0
|
N6
|
B:JO6803
|
3.9
|
31.7
|
1.0
|
CG1
|
B:VAL678
|
3.9
|
30.4
|
1.0
|
C
|
B:LEU675
|
4.0
|
26.1
|
1.0
|
CD2
|
B:LEU675
|
4.0
|
28.5
|
1.0
|
CD1
|
B:ILE692
|
4.1
|
30.0
|
1.0
|
CB
|
B:SER677
|
4.2
|
25.5
|
0.5
|
OH
|
B:TYR524
|
4.2
|
34.8
|
1.0
|
CB
|
B:LEU675
|
4.3
|
26.5
|
1.0
|
CB
|
B:SER677
|
4.3
|
27.5
|
0.5
|
C5
|
B:JO6803
|
4.3
|
35.4
|
1.0
|
O
|
B:HOH981
|
4.4
|
32.9
|
1.0
|
CE2
|
B:PHE729
|
4.5
|
28.2
|
1.0
|
CZ
|
B:PHE729
|
4.6
|
26.7
|
1.0
|
OG
|
B:SER677
|
4.7
|
25.1
|
0.5
|
N
|
B:SER677
|
4.7
|
27.4
|
1.0
|
O
|
B:ASP674
|
4.7
|
24.2
|
1.0
|
N
|
B:VAL678
|
4.7
|
29.4
|
1.0
|
CG
|
B:LEU675
|
4.8
|
27.9
|
1.0
|
CA
|
B:SER677
|
4.9
|
27.9
|
0.5
|
CA
|
B:SER677
|
4.9
|
29.0
|
0.5
|
|
Chlorine binding site 6 out
of 12 in 5sid
Go back to
Chlorine Binding Sites List in 5sid
Chlorine binding site 6 out
of 12 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl803
b:79.3
occ:1.00
|
CL24
|
B:JO6803
|
0.0
|
79.3
|
1.0
|
C4
|
B:JO6803
|
1.7
|
40.6
|
1.0
|
C1
|
B:JO6803
|
2.6
|
37.6
|
1.0
|
C5
|
B:JO6803
|
2.7
|
35.4
|
1.0
|
N9
|
B:JO6803
|
3.2
|
33.6
|
1.0
|
O
|
B:HOH1041
|
3.4
|
40.2
|
1.0
|
C2
|
B:JO6803
|
3.9
|
35.8
|
1.0
|
N6
|
B:JO6803
|
4.0
|
31.7
|
1.0
|
CE1
|
B:PHE729
|
4.2
|
28.6
|
1.0
|
CD2
|
B:LEU635
|
4.3
|
35.8
|
1.0
|
CZ
|
B:PHE696
|
4.3
|
32.0
|
1.0
|
CZ
|
B:PHE729
|
4.4
|
26.7
|
1.0
|
C8
|
B:JO6803
|
4.5
|
33.8
|
1.0
|
CD2
|
B:LEU675
|
4.5
|
28.5
|
1.0
|
C3
|
B:JO6803
|
4.6
|
34.8
|
1.0
|
O
|
B:HOH981
|
5.0
|
32.9
|
1.0
|
N7
|
B:JO6803
|
5.0
|
34.2
|
1.0
|
|
Chlorine binding site 7 out
of 12 in 5sid
Go back to
Chlorine Binding Sites List in 5sid
Chlorine binding site 7 out
of 12 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl803
b:77.0
occ:1.00
|
CL21
|
C:JO6803
|
0.0
|
77.0
|
1.0
|
C17
|
C:JO6803
|
1.7
|
49.4
|
1.0
|
C15
|
C:JO6803
|
2.7
|
50.5
|
1.0
|
C20
|
C:JO6803
|
2.7
|
46.6
|
1.0
|
CB
|
C:GLU721
|
3.1
|
42.8
|
1.0
|
O
|
C:LYS718
|
3.4
|
43.0
|
1.0
|
C
|
C:GLU721
|
3.5
|
43.8
|
1.0
|
O
|
C:GLU721
|
3.5
|
44.8
|
1.0
|
O
|
C:PRO712
|
3.6
|
38.4
|
1.0
|
O
|
C:HOH965
|
3.7
|
42.2
|
1.0
|
CA
|
C:GLU721
|
3.8
|
43.7
|
1.0
|
N
|
C:VAL722
|
3.8
|
45.2
|
1.0
|
C
|
C:PRO712
|
3.9
|
39.5
|
1.0
|
C13
|
C:JO6803
|
4.0
|
45.3
|
1.0
|
C16
|
C:JO6803
|
4.0
|
49.2
|
1.0
|
OE1
|
C:GLU721
|
4.1
|
59.9
|
1.0
|
CA
|
C:VAL722
|
4.2
|
41.1
|
1.0
|
CA
|
C:MET713
|
4.2
|
33.8
|
1.0
|
CB
|
C:PRO712
|
4.2
|
46.5
|
1.0
|
N
|
C:MET713
|
4.2
|
35.8
|
1.0
|
O
|
C:HOH1005
|
4.2
|
51.6
|
1.0
|
CG
|
C:GLU721
|
4.3
|
50.9
|
1.0
|
N
|
C:GLU721
|
4.4
|
47.2
|
1.0
|
C14
|
C:JO6803
|
4.5
|
49.5
|
1.0
|
C
|
C:LYS718
|
4.5
|
42.8
|
1.0
|
CD
|
C:GLU721
|
4.5
|
54.4
|
1.0
|
CG2
|
C:VAL722
|
4.5
|
39.4
|
1.0
|
CB
|
C:LYS718
|
4.7
|
48.6
|
1.0
|
CA
|
C:PRO712
|
4.7
|
42.6
|
1.0
|
CB
|
C:MET713
|
5.0
|
42.2
|
1.0
|
|
Chlorine binding site 8 out
of 12 in 5sid
Go back to
Chlorine Binding Sites List in 5sid
Chlorine binding site 8 out
of 12 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl803
b:39.3
occ:1.00
|
CL23
|
C:JO6803
|
0.0
|
39.3
|
1.0
|
C2
|
C:JO6803
|
1.7
|
33.4
|
1.0
|
C1
|
C:JO6803
|
2.6
|
38.4
|
1.0
|
C3
|
C:JO6803
|
2.6
|
34.4
|
1.0
|
C22
|
C:JO6803
|
3.2
|
34.3
|
1.0
|
O
|
C:HOH921
|
3.5
|
38.8
|
1.0
|
OG
|
C:SER677
|
3.7
|
46.5
|
1.0
|
O
|
C:LEU675
|
3.7
|
25.1
|
1.0
|
C4
|
C:JO6803
|
3.8
|
49.8
|
1.0
|
N6
|
C:JO6803
|
3.8
|
38.3
|
1.0
|
CA
|
C:LEU675
|
4.0
|
25.2
|
1.0
|
CD2
|
C:LEU675
|
4.0
|
33.3
|
1.0
|
CG1
|
C:VAL678
|
4.0
|
34.5
|
1.0
|
OH
|
C:TYR524
|
4.0
|
38.6
|
1.0
|
CD1
|
C:ILE692
|
4.1
|
34.2
|
1.0
|
C
|
C:LEU675
|
4.2
|
24.3
|
1.0
|
O
|
C:HOH955
|
4.2
|
33.3
|
1.0
|
C5
|
C:JO6803
|
4.4
|
40.8
|
1.0
|
CB
|
C:SER677
|
4.4
|
36.4
|
1.0
|
CB
|
C:LEU675
|
4.4
|
28.9
|
1.0
|
CE2
|
C:PHE729
|
4.6
|
31.6
|
1.0
|
O
|
C:ASP674
|
4.7
|
26.2
|
1.0
|
CZ
|
C:PHE729
|
4.8
|
32.7
|
1.0
|
N
|
C:VAL678
|
4.8
|
29.8
|
1.0
|
N
|
C:SER677
|
4.8
|
29.5
|
1.0
|
CG
|
C:LEU675
|
4.8
|
31.3
|
1.0
|
CZ
|
C:TYR524
|
4.9
|
35.3
|
1.0
|
CA
|
C:SER677
|
5.0
|
32.9
|
1.0
|
|
Chlorine binding site 9 out
of 12 in 5sid
Go back to
Chlorine Binding Sites List in 5sid
Chlorine binding site 9 out
of 12 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl803
b:90.7
occ:1.00
|
CL24
|
C:JO6803
|
0.0
|
90.7
|
1.0
|
C4
|
C:JO6803
|
1.7
|
49.8
|
1.0
|
C1
|
C:JO6803
|
2.7
|
38.4
|
1.0
|
C5
|
C:JO6803
|
2.7
|
40.8
|
1.0
|
O
|
C:HOH1028
|
3.2
|
47.3
|
1.0
|
N9
|
C:JO6803
|
3.2
|
39.4
|
1.0
|
C2
|
C:JO6803
|
4.0
|
33.4
|
1.0
|
N6
|
C:JO6803
|
4.0
|
38.3
|
1.0
|
CD2
|
C:LEU635
|
4.1
|
44.8
|
1.0
|
CE1
|
C:PHE729
|
4.2
|
31.4
|
1.0
|
CZ
|
C:PHE729
|
4.3
|
32.7
|
1.0
|
CZ
|
C:PHE696
|
4.4
|
37.1
|
1.0
|
C3
|
C:JO6803
|
4.5
|
34.4
|
1.0
|
C8
|
C:JO6803
|
4.6
|
40.3
|
1.0
|
CD2
|
C:LEU675
|
4.6
|
33.3
|
1.0
|
O
|
C:HOH1006
|
5.0
|
44.2
|
1.0
|
|
Chlorine binding site 10 out
of 12 in 5sid
Go back to
Chlorine Binding Sites List in 5sid
Chlorine binding site 10 out
of 12 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5- Chloro-2-[2-(6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2- Yl)Ethyl]-1,3-Benzothiazole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl803
b:84.9
occ:1.00
|
CL21
|
D:JO6803
|
0.0
|
84.9
|
1.0
|
C17
|
D:JO6803
|
1.7
|
51.9
|
1.0
|
C15
|
D:JO6803
|
2.7
|
49.8
|
1.0
|
C20
|
D:JO6803
|
2.7
|
48.0
|
1.0
|
CB
|
D:GLU721
|
3.1
|
46.3
|
1.0
|
C
|
D:GLU721
|
3.3
|
53.4
|
1.0
|
O
|
D:LYS718
|
3.4
|
56.2
|
1.0
|
O
|
D:GLU721
|
3.4
|
51.4
|
1.0
|
O
|
D:HOH951
|
3.6
|
40.3
|
1.0
|
N
|
D:VAL722
|
3.6
|
50.9
|
1.0
|
CA
|
D:GLU721
|
3.7
|
46.2
|
1.0
|
O
|
D:PRO712
|
3.7
|
37.5
|
1.0
|
C13
|
D:JO6803
|
4.0
|
42.2
|
1.0
|
C16
|
D:JO6803
|
4.0
|
52.2
|
1.0
|
CA
|
D:VAL722
|
4.0
|
50.2
|
1.0
|
C
|
D:PRO712
|
4.1
|
39.6
|
1.0
|
N
|
D:GLU721
|
4.3
|
48.2
|
1.0
|
OE1
|
D:GLU721
|
4.3
|
59.5
|
1.0
|
CG2
|
D:VAL722
|
4.4
|
50.1
|
1.0
|
CG
|
D:GLU721
|
4.4
|
54.4
|
1.0
|
CA
|
D:MET713
|
4.4
|
41.6
|
1.0
|
CB
|
D:PRO712
|
4.4
|
43.3
|
1.0
|
C
|
D:LYS718
|
4.4
|
47.9
|
1.0
|
N
|
D:MET713
|
4.4
|
37.3
|
1.0
|
C14
|
D:JO6803
|
4.5
|
48.6
|
1.0
|
CB
|
D:LYS718
|
4.6
|
49.7
|
1.0
|
CD
|
D:GLU721
|
4.6
|
58.2
|
1.0
|
CB
|
D:VAL722
|
4.8
|
45.7
|
1.0
|
CA
|
D:PRO712
|
4.9
|
42.3
|
1.0
|
|
Reference:
A.Flohr,
D.Schlatter,
B.Kuhn,
M.G.Rudolph.
Crystal Structure of A Human Phosphodiesterase 10 Complex To Be Published.
Page generated: Fri Jul 26 16:52:02 2024
|