Chlorine in PDB 7uvn: Crystal Structure of Human Clpp Protease in Complex with Tr-57
Enzymatic activity of Crystal Structure of Human Clpp Protease in Complex with Tr-57
All present enzymatic activity of Crystal Structure of Human Clpp Protease in Complex with Tr-57:
3.4.21.92;
Protein crystallography data
The structure of Crystal Structure of Human Clpp Protease in Complex with Tr-57, PDB code: 7uvn
was solved by
M.F.Mabanglo,
W.A.Houry,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.25 /
3.11
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
142.098,
153.04,
104.696,
90,
117.92,
90
|
R / Rfree (%)
|
22.9 /
28.3
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Human Clpp Protease in Complex with Tr-57
(pdb code 7uvn). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the
Crystal Structure of Human Clpp Protease in Complex with Tr-57, PDB code: 7uvn:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
Chlorine binding site 1 out
of 7 in 7uvn
Go back to
Chlorine Binding Sites List in 7uvn
Chlorine binding site 1 out
of 7 in the Crystal Structure of Human Clpp Protease in Complex with Tr-57
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 Clpp Protease in Complex with Tr-57 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl301
b:70.7
occ:1.00
|
CL01
|
A:P3O301
|
0.0
|
70.7
|
1.0
|
C02
|
A:P3O301
|
1.8
|
56.6
|
1.0
|
C03
|
A:P3O301
|
2.8
|
52.1
|
1.0
|
C30
|
A:P3O301
|
2.8
|
53.1
|
1.0
|
CG
|
A:ARG78
|
3.4
|
54.5
|
1.0
|
CB
|
G:PHE105
|
3.5
|
46.1
|
1.0
|
CD1
|
G:PHE105
|
3.5
|
50.0
|
1.0
|
CD2
|
A:LEU79
|
3.6
|
45.9
|
1.0
|
CA
|
G:PHE105
|
3.8
|
46.4
|
1.0
|
CG
|
G:PHE105
|
4.0
|
52.0
|
1.0
|
C04
|
A:P3O301
|
4.0
|
51.6
|
1.0
|
C29
|
A:P3O301
|
4.1
|
52.3
|
1.0
|
O
|
A:ARG78
|
4.1
|
52.7
|
1.0
|
C
|
A:ARG78
|
4.2
|
54.8
|
1.0
|
NH1
|
A:ARG78
|
4.2
|
52.1
|
1.0
|
CB
|
A:ARG78
|
4.2
|
54.0
|
1.0
|
N
|
A:LEU79
|
4.3
|
59.6
|
1.0
|
N
|
G:PHE105
|
4.4
|
48.6
|
1.0
|
CZ
|
A:ARG78
|
4.4
|
58.1
|
1.0
|
CA
|
A:LEU79
|
4.4
|
54.7
|
1.0
|
NE
|
A:ARG78
|
4.5
|
60.4
|
1.0
|
CD
|
A:ARG78
|
4.5
|
56.9
|
1.0
|
C05
|
A:P3O301
|
4.6
|
50.1
|
1.0
|
CG
|
A:LEU79
|
4.6
|
45.1
|
1.0
|
CE1
|
G:PHE105
|
4.7
|
49.7
|
1.0
|
O
|
G:ALA101
|
4.7
|
42.1
|
1.0
|
CG
|
A:GLU82
|
4.8
|
57.4
|
1.0
|
O
|
A:ILE75
|
4.8
|
45.2
|
1.0
|
CG1
|
A:ILE75
|
4.9
|
38.4
|
1.0
|
CA
|
A:ARG78
|
4.9
|
57.8
|
1.0
|
C
|
G:LEU104
|
5.0
|
47.4
|
1.0
|
|
Chlorine binding site 2 out
of 7 in 7uvn
Go back to
Chlorine Binding Sites List in 7uvn
Chlorine binding site 2 out
of 7 in the Crystal Structure of Human Clpp Protease in Complex with Tr-57
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 Clpp Protease in Complex with Tr-57 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl301
b:72.0
occ:1.00
|
CL01
|
B:P3O301
|
0.0
|
72.0
|
1.0
|
C02
|
B:P3O301
|
1.8
|
55.5
|
1.0
|
C03
|
B:P3O301
|
2.8
|
54.9
|
1.0
|
C30
|
B:P3O301
|
2.8
|
52.9
|
1.0
|
CG
|
B:ARG78
|
3.3
|
48.2
|
1.0
|
CD2
|
B:LEU79
|
3.4
|
43.9
|
1.0
|
CD1
|
A:PHE105
|
3.7
|
45.3
|
1.0
|
CB
|
A:PHE105
|
3.7
|
45.7
|
1.0
|
CA
|
A:PHE105
|
4.0
|
47.5
|
1.0
|
C04
|
B:P3O301
|
4.0
|
52.3
|
1.0
|
C29
|
B:P3O301
|
4.1
|
56.6
|
1.0
|
NH1
|
B:ARG78
|
4.1
|
58.9
|
1.0
|
CG
|
A:PHE105
|
4.1
|
47.6
|
1.0
|
CB
|
B:ARG78
|
4.2
|
49.9
|
1.0
|
O
|
B:ARG78
|
4.3
|
52.5
|
1.0
|
C
|
B:ARG78
|
4.3
|
52.3
|
1.0
|
N
|
B:LEU79
|
4.4
|
50.9
|
1.0
|
CZ
|
B:ARG78
|
4.4
|
65.2
|
1.0
|
CD
|
B:ARG78
|
4.5
|
57.1
|
1.0
|
C05
|
B:P3O301
|
4.6
|
51.4
|
1.0
|
N
|
A:PHE105
|
4.6
|
49.2
|
1.0
|
NE
|
B:ARG78
|
4.6
|
63.4
|
1.0
|
CG
|
B:LEU79
|
4.7
|
46.8
|
1.0
|
CA
|
B:LEU79
|
4.7
|
49.5
|
1.0
|
CE1
|
A:PHE105
|
4.7
|
51.4
|
1.0
|
CG
|
B:GLU82
|
4.8
|
47.0
|
1.0
|
O
|
A:ALA101
|
4.8
|
41.7
|
1.0
|
O
|
B:ILE75
|
4.8
|
49.0
|
1.0
|
CA
|
B:ARG78
|
4.9
|
54.0
|
1.0
|
CG1
|
B:ILE75
|
5.0
|
31.9
|
1.0
|
OG
|
A:SER108
|
5.0
|
50.6
|
1.0
|
|
Chlorine binding site 3 out
of 7 in 7uvn
Go back to
Chlorine Binding Sites List in 7uvn
Chlorine binding site 3 out
of 7 in the Crystal Structure of Human Clpp Protease in Complex with Tr-57
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 Clpp Protease in Complex with Tr-57 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl301
b:70.5
occ:1.00
|
CL01
|
C:P3O301
|
0.0
|
70.5
|
1.0
|
C02
|
C:P3O301
|
1.8
|
54.2
|
1.0
|
C03
|
C:P3O301
|
2.8
|
51.7
|
1.0
|
C30
|
C:P3O301
|
2.8
|
46.1
|
1.0
|
CG
|
C:ARG78
|
3.4
|
52.1
|
1.0
|
CD2
|
C:LEU79
|
3.5
|
46.8
|
1.0
|
CD1
|
B:PHE105
|
3.7
|
44.5
|
1.0
|
CB
|
B:PHE105
|
3.8
|
42.3
|
1.0
|
C04
|
C:P3O301
|
4.0
|
49.0
|
1.0
|
CA
|
B:PHE105
|
4.1
|
38.5
|
1.0
|
C29
|
C:P3O301
|
4.1
|
45.5
|
1.0
|
O
|
C:ARG78
|
4.2
|
56.5
|
1.0
|
CG
|
B:PHE105
|
4.2
|
46.4
|
1.0
|
CZ
|
C:ARG78
|
4.2
|
59.0
|
1.0
|
C
|
C:ARG78
|
4.2
|
55.0
|
1.0
|
NH1
|
C:ARG78
|
4.3
|
63.1
|
1.0
|
N
|
C:LEU79
|
4.3
|
54.0
|
1.0
|
CB
|
C:ARG78
|
4.3
|
54.2
|
1.0
|
NE
|
C:ARG78
|
4.3
|
52.7
|
1.0
|
CA
|
C:LEU79
|
4.4
|
52.3
|
1.0
|
CD
|
C:ARG78
|
4.4
|
51.8
|
1.0
|
C05
|
C:P3O301
|
4.6
|
44.6
|
1.0
|
CD1
|
C:ILE75
|
4.6
|
36.9
|
1.0
|
CG
|
C:LEU79
|
4.6
|
50.4
|
1.0
|
N
|
B:PHE105
|
4.6
|
37.5
|
1.0
|
NH2
|
C:ARG78
|
4.8
|
60.4
|
1.0
|
O
|
B:ALA101
|
4.8
|
41.2
|
1.0
|
CE1
|
B:PHE105
|
4.8
|
46.7
|
1.0
|
O
|
C:ILE75
|
4.8
|
51.1
|
1.0
|
CA
|
C:ARG78
|
4.9
|
56.5
|
1.0
|
|
Chlorine binding site 4 out
of 7 in 7uvn
Go back to
Chlorine Binding Sites List in 7uvn
Chlorine binding site 4 out
of 7 in the Crystal Structure of Human Clpp Protease in Complex with Tr-57
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 Clpp Protease in Complex with Tr-57 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl301
b:69.7
occ:1.00
|
CL01
|
D:P3O301
|
0.0
|
69.7
|
1.0
|
C02
|
D:P3O301
|
1.8
|
59.4
|
1.0
|
C03
|
D:P3O301
|
2.8
|
57.6
|
1.0
|
C30
|
D:P3O301
|
2.8
|
58.4
|
1.0
|
CB
|
C:PHE105
|
3.5
|
50.1
|
1.0
|
CD2
|
D:LEU79
|
3.6
|
44.8
|
1.0
|
CG
|
D:ARG78
|
3.7
|
54.4
|
1.0
|
CA
|
C:PHE105
|
3.7
|
51.9
|
1.0
|
CD1
|
C:PHE105
|
3.8
|
49.5
|
1.0
|
C04
|
D:P3O301
|
4.0
|
53.3
|
1.0
|
C29
|
D:P3O301
|
4.1
|
56.3
|
1.0
|
CG
|
C:PHE105
|
4.1
|
47.9
|
1.0
|
N
|
C:PHE105
|
4.2
|
49.7
|
1.0
|
O
|
D:ARG78
|
4.4
|
53.8
|
1.0
|
CB
|
D:ARG78
|
4.5
|
48.6
|
1.0
|
C
|
D:ARG78
|
4.6
|
54.7
|
1.0
|
C05
|
D:P3O301
|
4.6
|
52.1
|
1.0
|
CG
|
D:LEU79
|
4.6
|
51.9
|
1.0
|
O
|
C:ALA101
|
4.6
|
43.6
|
1.0
|
N
|
D:LEU79
|
4.7
|
53.6
|
1.0
|
CD
|
D:ARG78
|
4.8
|
57.7
|
1.0
|
CA
|
D:LEU79
|
4.8
|
48.4
|
1.0
|
NE
|
D:ARG78
|
4.8
|
61.1
|
1.0
|
CG
|
D:GLU82
|
4.8
|
50.8
|
1.0
|
CG1
|
D:ILE75
|
4.9
|
37.9
|
1.0
|
CE1
|
C:PHE105
|
4.9
|
49.8
|
1.0
|
O
|
D:ILE75
|
5.0
|
51.5
|
1.0
|
C
|
C:LEU104
|
5.0
|
51.5
|
1.0
|
|
Chlorine binding site 5 out
of 7 in 7uvn
Go back to
Chlorine Binding Sites List in 7uvn
Chlorine binding site 5 out
of 7 in the Crystal Structure of Human Clpp Protease in Complex with Tr-57
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 Clpp Protease in Complex with Tr-57 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl301
b:71.1
occ:1.00
|
CL01
|
E:P3O301
|
0.0
|
71.1
|
1.0
|
C02
|
E:P3O301
|
1.8
|
54.7
|
1.0
|
C03
|
E:P3O301
|
2.8
|
51.9
|
1.0
|
C30
|
E:P3O301
|
2.8
|
50.2
|
1.0
|
CD2
|
E:LEU79
|
3.5
|
44.0
|
1.0
|
CB
|
D:PHE105
|
3.5
|
44.2
|
1.0
|
CG
|
E:ARG78
|
3.5
|
54.2
|
1.0
|
CA
|
D:PHE105
|
3.8
|
50.9
|
1.0
|
CD1
|
D:PHE105
|
3.9
|
48.2
|
1.0
|
C04
|
E:P3O301
|
4.0
|
49.7
|
1.0
|
C29
|
E:P3O301
|
4.1
|
53.3
|
1.0
|
CG
|
D:PHE105
|
4.1
|
50.6
|
1.0
|
NH1
|
E:ARG78
|
4.3
|
60.8
|
1.0
|
CB
|
E:ARG78
|
4.4
|
55.9
|
1.0
|
N
|
D:PHE105
|
4.4
|
51.2
|
1.0
|
CG
|
E:LEU79
|
4.4
|
51.0
|
1.0
|
CZ
|
E:ARG78
|
4.4
|
56.8
|
1.0
|
N
|
E:LEU79
|
4.4
|
55.1
|
1.0
|
C
|
E:ARG78
|
4.4
|
54.5
|
1.0
|
O
|
E:ARG78
|
4.4
|
56.4
|
1.0
|
NE
|
E:ARG78
|
4.5
|
51.2
|
1.0
|
CD
|
E:ARG78
|
4.5
|
48.7
|
1.0
|
CA
|
E:LEU79
|
4.5
|
53.7
|
1.0
|
C05
|
E:P3O301
|
4.6
|
49.3
|
1.0
|
O
|
D:ALA101
|
4.6
|
47.8
|
1.0
|
OG
|
D:SER108
|
4.8
|
50.7
|
1.0
|
O
|
E:ILE75
|
4.8
|
50.2
|
1.0
|
CD1
|
E:ILE75
|
4.9
|
46.8
|
1.0
|
|
Chlorine binding site 6 out
of 7 in 7uvn
Go back to
Chlorine Binding Sites List in 7uvn
Chlorine binding site 6 out
of 7 in the Crystal Structure of Human Clpp Protease in Complex with Tr-57
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 Clpp Protease in Complex with Tr-57 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl301
b:73.4
occ:1.00
|
CL01
|
F:P3O301
|
0.0
|
73.4
|
1.0
|
C02
|
F:P3O301
|
1.8
|
66.9
|
1.0
|
C03
|
F:P3O301
|
2.8
|
61.9
|
1.0
|
C30
|
F:P3O301
|
2.8
|
65.0
|
1.0
|
CB
|
E:PHE105
|
3.4
|
50.4
|
1.0
|
CG
|
F:ARG78
|
3.5
|
63.4
|
1.0
|
CD2
|
F:LEU79
|
3.6
|
62.5
|
1.0
|
CA
|
E:PHE105
|
3.8
|
50.0
|
1.0
|
CD1
|
E:PHE105
|
3.9
|
54.6
|
1.0
|
C04
|
F:P3O301
|
4.0
|
59.8
|
1.0
|
C29
|
F:P3O301
|
4.1
|
61.7
|
1.0
|
CG
|
E:PHE105
|
4.1
|
53.1
|
1.0
|
O
|
F:ARG78
|
4.2
|
58.3
|
1.0
|
C
|
F:ARG78
|
4.3
|
60.8
|
1.0
|
N
|
E:PHE105
|
4.3
|
52.9
|
1.0
|
CB
|
F:ARG78
|
4.3
|
61.6
|
1.0
|
N
|
F:LEU79
|
4.3
|
58.8
|
1.0
|
CA
|
F:LEU79
|
4.4
|
53.4
|
1.0
|
CG
|
F:LEU79
|
4.5
|
65.7
|
1.0
|
O
|
E:ALA101
|
4.5
|
48.7
|
1.0
|
C05
|
F:P3O301
|
4.6
|
63.6
|
1.0
|
CD
|
F:ARG78
|
4.6
|
67.9
|
1.0
|
NE
|
F:ARG78
|
4.6
|
73.5
|
1.0
|
CD1
|
F:ILE75
|
4.7
|
54.0
|
1.0
|
CZ
|
F:ARG78
|
4.8
|
76.9
|
1.0
|
O
|
F:ILE75
|
4.8
|
59.8
|
1.0
|
CG
|
F:GLU82
|
4.8
|
59.3
|
1.0
|
NH1
|
F:ARG78
|
4.9
|
76.9
|
1.0
|
CA
|
F:ARG78
|
5.0
|
62.2
|
1.0
|
C
|
E:LEU104
|
5.0
|
56.3
|
1.0
|
|
Chlorine binding site 7 out
of 7 in 7uvn
Go back to
Chlorine Binding Sites List in 7uvn
Chlorine binding site 7 out
of 7 in the Crystal Structure of Human Clpp Protease in Complex with Tr-57
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 Clpp Protease in Complex with Tr-57 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Cl301
b:69.5
occ:1.00
|
CL01
|
G:P3O301
|
0.0
|
69.5
|
1.0
|
C02
|
G:P3O301
|
1.8
|
59.0
|
1.0
|
C03
|
G:P3O301
|
2.8
|
53.2
|
1.0
|
C30
|
G:P3O301
|
2.8
|
56.7
|
1.0
|
CD2
|
G:LEU79
|
3.5
|
44.9
|
1.0
|
CG
|
G:ARG78
|
3.6
|
48.7
|
1.0
|
CB
|
F:PHE105
|
3.6
|
51.7
|
1.0
|
CA
|
F:PHE105
|
3.9
|
45.8
|
1.0
|
CD1
|
F:PHE105
|
4.0
|
53.2
|
1.0
|
C04
|
G:P3O301
|
4.0
|
52.2
|
1.0
|
C29
|
G:P3O301
|
4.1
|
55.8
|
1.0
|
CG
|
F:PHE105
|
4.3
|
52.8
|
1.0
|
N
|
G:LEU79
|
4.4
|
46.0
|
1.0
|
N
|
F:PHE105
|
4.4
|
43.9
|
1.0
|
CG
|
G:LEU79
|
4.4
|
45.8
|
1.0
|
CB
|
G:ARG78
|
4.4
|
44.4
|
1.0
|
C
|
G:ARG78
|
4.4
|
45.4
|
1.0
|
O
|
G:ARG78
|
4.4
|
45.0
|
1.0
|
CA
|
G:LEU79
|
4.5
|
45.0
|
1.0
|
C05
|
G:P3O301
|
4.6
|
47.2
|
1.0
|
O
|
F:ALA101
|
4.6
|
46.7
|
1.0
|
NH1
|
G:ARG78
|
4.7
|
54.2
|
1.0
|
CZ
|
G:ARG78
|
4.8
|
65.6
|
1.0
|
CD
|
G:ARG78
|
4.8
|
60.9
|
1.0
|
O
|
G:ILE75
|
4.8
|
47.1
|
1.0
|
NE
|
G:ARG78
|
4.8
|
64.8
|
1.0
|
CG1
|
G:ILE75
|
4.9
|
42.7
|
1.0
|
|
Reference:
M.F.Mabanglo,
K.S.Wong,
M.M.Barghash,
E.Leung,
S.H.W.Chuang,
A.Ardalan,
E.M.Majaesic,
C.J.Wong,
S.Zhang,
H.Lang,
D.S.Karanewsky,
A.A.Iwanowicz,
L.M.Graves,
E.J.Iwanowicz,
A.C.Gingras,
W.A.Houry.
Potent Clpp Agonists with Anticancer Properties Bind with Improved Structural Complementarity and Alter the Mitochondrial N-Terminome. Structure 2022.
ISSN: ISSN 0969-2126
PubMed: 36586405
DOI: 10.1016/J.STR.2022.12.002
Page generated: Tue Jul 30 05:11:37 2024
|