Zinc in PDB 5ytu: Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group
Enzymatic activity of Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group
All present enzymatic activity of Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group:
1.15.1.1;
Protein crystallography data
The structure of Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group, PDB code: 5ytu
was solved by
R.Manjula,
B.Padmanabhan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
20.00 /
1.90
|
|
Space group
|
C 2 2 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
164.521,
203.791,
144.771,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
17.9 /
22.1
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group
(pdb code 5ytu). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 9 binding sites of Zinc where determined in the
Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group, PDB code: 5ytu:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Zinc binding site 1 out
of 9 in 5ytu
Go back to
Zinc Binding Sites List in 5ytu
Zinc binding site 1 out
of 9 in the Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn202
b:24.9
occ:1.00
|
OD1
|
A:ASP83
|
1.9
|
17.9
|
1.0
|
|
ND1
|
A:HIS80
|
2.0
|
17.2
|
1.0
|
|
ND1
|
A:HIS63
|
2.0
|
19.2
|
1.0
|
|
ND1
|
A:HIS71
|
2.2
|
20.9
|
1.0
|
|
CG
|
A:ASP83
|
2.7
|
18.3
|
1.0
|
|
CE1
|
A:HIS80
|
2.8
|
20.0
|
1.0
|
|
OD2
|
A:ASP83
|
2.9
|
17.1
|
1.0
|
|
CE1
|
A:HIS63
|
3.0
|
19.8
|
1.0
|
|
CE1
|
A:HIS71
|
3.0
|
20.8
|
1.0
|
|
CG
|
A:HIS63
|
3.1
|
19.1
|
1.0
|
|
CG
|
A:HIS80
|
3.1
|
17.3
|
1.0
|
|
CG
|
A:HIS71
|
3.3
|
20.6
|
1.0
|
|
CB
|
A:HIS63
|
3.4
|
19.5
|
1.0
|
|
CB
|
A:HIS80
|
3.6
|
17.3
|
1.0
|
|
CB
|
A:HIS71
|
3.7
|
20.3
|
1.0
|
|
O
|
A:LYS136
|
3.9
|
21.2
|
1.0
|
|
NE2
|
A:HIS80
|
3.9
|
19.1
|
1.0
|
|
CA
|
A:HIS71
|
4.0
|
21.2
|
1.0
|
|
CD2
|
A:HIS80
|
4.1
|
18.7
|
1.0
|
|
NE2
|
A:HIS63
|
4.1
|
21.2
|
1.0
|
|
CB
|
A:ASP83
|
4.1
|
18.2
|
1.0
|
|
CD2
|
A:HIS63
|
4.2
|
19.9
|
1.0
|
|
NE2
|
A:HIS71
|
4.2
|
20.1
|
1.0
|
|
CD2
|
A:HIS71
|
4.3
|
19.7
|
1.0
|
|
CA
|
A:ASP83
|
4.6
|
18.5
|
1.0
|
|
N
|
A:HIS80
|
4.8
|
19.8
|
1.0
|
|
O
|
A:HOH404
|
4.8
|
29.1
|
1.0
|
|
CA
|
A:HIS80
|
4.8
|
19.1
|
1.0
|
|
N
|
A:GLY72
|
4.8
|
19.6
|
1.0
|
|
C
|
A:LYS136
|
4.8
|
21.9
|
1.0
|
|
C
|
A:HIS71
|
4.9
|
20.8
|
1.0
|
|
N
|
A:ASP83
|
4.9
|
18.1
|
1.0
|
|
N
|
A:HIS71
|
5.0
|
22.7
|
1.0
|
|
CA
|
A:HIS63
|
5.0
|
17.8
|
1.0
|
|
Zinc binding site 2 out
of 9 in 5ytu
Go back to
Zinc Binding Sites List in 5ytu
Zinc binding site 2 out
of 9 in the Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Zn201
b:38.0
occ:1.00
|
OD1
|
H:ASP83
|
1.8
|
31.2
|
1.0
|
|
ND1
|
H:HIS80
|
2.0
|
35.2
|
1.0
|
|
ND1
|
H:HIS71
|
2.2
|
34.7
|
1.0
|
|
ND1
|
H:HIS63
|
2.3
|
32.6
|
1.0
|
|
CG
|
H:ASP83
|
2.6
|
31.8
|
1.0
|
|
OD2
|
H:ASP83
|
2.8
|
31.3
|
1.0
|
|
CE1
|
H:HIS80
|
2.9
|
37.9
|
1.0
|
|
CG
|
H:HIS80
|
3.0
|
34.7
|
1.0
|
|
CG
|
H:HIS63
|
3.2
|
31.7
|
1.0
|
|
CE1
|
H:HIS71
|
3.2
|
36.7
|
1.0
|
|
CG
|
H:HIS71
|
3.2
|
37.6
|
1.0
|
|
CE1
|
H:HIS63
|
3.3
|
32.9
|
1.0
|
|
CB
|
H:HIS63
|
3.4
|
31.5
|
1.0
|
|
CB
|
H:HIS80
|
3.4
|
35.0
|
1.0
|
|
CB
|
H:HIS71
|
3.5
|
36.5
|
1.0
|
|
CA
|
H:HIS71
|
4.0
|
37.8
|
1.0
|
|
O
|
H:LYS136
|
4.0
|
40.6
|
1.0
|
|
NE2
|
H:HIS80
|
4.0
|
34.6
|
1.0
|
|
CB
|
H:ASP83
|
4.0
|
29.9
|
1.0
|
|
CD2
|
H:HIS80
|
4.1
|
37.4
|
1.0
|
|
NE2
|
H:HIS71
|
4.3
|
37.8
|
1.0
|
|
CD2
|
H:HIS63
|
4.3
|
30.9
|
1.0
|
|
CD2
|
H:HIS71
|
4.4
|
35.5
|
1.0
|
|
NE2
|
H:HIS63
|
4.4
|
33.4
|
1.0
|
|
CA
|
H:ASP83
|
4.6
|
30.1
|
1.0
|
|
N
|
H:HIS80
|
4.6
|
35.5
|
1.0
|
|
CA
|
H:HIS80
|
4.6
|
34.2
|
1.0
|
|
N
|
H:ASP83
|
4.8
|
30.2
|
1.0
|
|
O
|
H:HOH386
|
4.8
|
35.4
|
1.0
|
|
N
|
H:GLY72
|
4.9
|
37.1
|
1.0
|
|
CA
|
H:HIS63
|
4.9
|
26.6
|
1.0
|
|
CD2
|
H:HIS46
|
4.9
|
31.8
|
1.0
|
|
C
|
H:HIS71
|
4.9
|
37.5
|
1.0
|
|
C
|
H:LYS136
|
5.0
|
45.0
|
1.0
|
|
Zinc binding site 3 out
of 9 in 5ytu
Go back to
Zinc Binding Sites List in 5ytu
Zinc binding site 3 out
of 9 in the Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn201
b:26.1
occ:1.00
|
OD1
|
B:ASP83
|
1.9
|
19.6
|
1.0
|
|
ND1
|
B:HIS80
|
2.0
|
20.2
|
1.0
|
|
ND1
|
B:HIS63
|
2.1
|
20.9
|
1.0
|
|
ND1
|
B:HIS71
|
2.2
|
20.6
|
1.0
|
|
CG
|
B:ASP83
|
2.8
|
18.1
|
1.0
|
|
CE1
|
B:HIS80
|
2.9
|
23.3
|
1.0
|
|
OD2
|
B:ASP83
|
2.9
|
18.1
|
1.0
|
|
CG
|
B:HIS63
|
3.0
|
22.4
|
1.0
|
|
CE1
|
B:HIS63
|
3.1
|
21.9
|
1.0
|
|
CG
|
B:HIS80
|
3.1
|
20.6
|
1.0
|
|
CE1
|
B:HIS71
|
3.1
|
20.8
|
1.0
|
|
CG
|
B:HIS71
|
3.2
|
20.8
|
1.0
|
|
CB
|
B:HIS63
|
3.3
|
22.1
|
1.0
|
|
CB
|
B:HIS80
|
3.6
|
19.3
|
1.0
|
|
CB
|
B:HIS71
|
3.6
|
21.0
|
1.0
|
|
O
|
B:LYS136
|
3.8
|
24.8
|
1.0
|
|
CA
|
B:HIS71
|
4.0
|
21.4
|
1.0
|
|
NE2
|
B:HIS80
|
4.0
|
21.6
|
1.0
|
|
CD2
|
B:HIS80
|
4.1
|
19.5
|
1.0
|
|
NE2
|
B:HIS63
|
4.2
|
25.2
|
1.0
|
|
CD2
|
B:HIS63
|
4.2
|
24.0
|
1.0
|
|
CB
|
B:ASP83
|
4.2
|
18.4
|
1.0
|
|
NE2
|
B:HIS71
|
4.3
|
21.2
|
1.0
|
|
CD2
|
B:HIS71
|
4.3
|
20.4
|
1.0
|
|
CA
|
B:ASP83
|
4.7
|
17.9
|
1.0
|
|
O
|
B:HOH343
|
4.7
|
26.8
|
1.0
|
|
N
|
B:HIS80
|
4.8
|
21.9
|
1.0
|
|
N
|
B:GLY72
|
4.8
|
19.8
|
1.0
|
|
CA
|
B:HIS80
|
4.8
|
20.1
|
1.0
|
|
C
|
B:LYS136
|
4.8
|
22.6
|
1.0
|
|
CA
|
B:HIS63
|
4.9
|
20.5
|
1.0
|
|
C
|
B:HIS71
|
4.9
|
23.5
|
1.0
|
|
N
|
B:ASP83
|
4.9
|
18.3
|
1.0
|
|
N
|
B:HIS71
|
4.9
|
21.6
|
1.0
|
|
Zinc binding site 4 out
of 9 in 5ytu
Go back to
Zinc Binding Sites List in 5ytu
Zinc binding site 4 out
of 9 in the Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn201
b:41.5
occ:1.00
|
OD1
|
C:ASP83
|
1.9
|
31.0
|
1.0
|
|
ND1
|
C:HIS80
|
2.0
|
32.0
|
1.0
|
|
ND1
|
C:HIS63
|
2.1
|
31.2
|
1.0
|
|
ND1
|
C:HIS71
|
2.4
|
36.3
|
1.0
|
|
CG
|
C:ASP83
|
2.8
|
29.9
|
1.0
|
|
CE1
|
C:HIS80
|
2.9
|
33.1
|
1.0
|
|
CG
|
C:HIS80
|
3.0
|
30.6
|
1.0
|
|
OD2
|
C:ASP83
|
3.0
|
32.6
|
1.0
|
|
CG
|
C:HIS63
|
3.1
|
31.5
|
1.0
|
|
CE1
|
C:HIS63
|
3.2
|
31.6
|
1.0
|
|
CE1
|
C:HIS71
|
3.3
|
37.2
|
1.0
|
|
CB
|
C:HIS63
|
3.3
|
30.2
|
1.0
|
|
CG
|
C:HIS71
|
3.4
|
37.9
|
1.0
|
|
CB
|
C:HIS80
|
3.4
|
29.8
|
1.0
|
|
CB
|
C:HIS71
|
3.7
|
36.0
|
1.0
|
|
O
|
C:LYS136
|
3.7
|
39.3
|
1.0
|
|
NE2
|
C:HIS80
|
4.0
|
33.6
|
1.0
|
|
CA
|
C:HIS71
|
4.0
|
38.0
|
1.0
|
|
CD2
|
C:HIS80
|
4.0
|
32.0
|
1.0
|
|
CB
|
C:ASP83
|
4.2
|
26.4
|
1.0
|
|
CD2
|
C:HIS63
|
4.2
|
34.1
|
1.0
|
|
NE2
|
C:HIS63
|
4.2
|
34.4
|
1.0
|
|
NE2
|
C:HIS71
|
4.4
|
38.0
|
1.0
|
|
CD2
|
C:HIS71
|
4.5
|
36.8
|
1.0
|
|
O
|
C:HOH388
|
4.6
|
38.5
|
1.0
|
|
CA
|
C:ASP83
|
4.6
|
28.8
|
1.0
|
|
CA
|
C:HIS80
|
4.6
|
33.3
|
1.0
|
|
N
|
C:HIS80
|
4.6
|
35.8
|
1.0
|
|
C
|
C:LYS136
|
4.8
|
40.2
|
1.0
|
|
N
|
C:GLY72
|
4.8
|
35.2
|
1.0
|
|
N
|
C:ASP83
|
4.8
|
29.2
|
1.0
|
|
CA
|
C:HIS63
|
4.9
|
27.1
|
1.0
|
|
C
|
C:HIS71
|
4.9
|
39.5
|
1.0
|
|
N
|
C:HIS71
|
5.0
|
35.7
|
1.0
|
|
Zinc binding site 5 out
of 9 in 5ytu
Go back to
Zinc Binding Sites List in 5ytu
Zinc binding site 5 out
of 9 in the Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn201
b:25.8
occ:1.00
|
OD1
|
D:ASP83
|
2.0
|
19.7
|
1.0
|
|
ND1
|
D:HIS80
|
2.1
|
19.7
|
1.0
|
|
ND1
|
D:HIS63
|
2.1
|
22.8
|
1.0
|
|
ND1
|
D:HIS71
|
2.1
|
18.4
|
1.0
|
|
CG
|
D:ASP83
|
2.7
|
20.5
|
1.0
|
|
CE1
|
D:HIS80
|
2.9
|
22.8
|
1.0
|
|
OD2
|
D:ASP83
|
2.9
|
18.3
|
1.0
|
|
CE1
|
D:HIS63
|
3.0
|
24.3
|
1.0
|
|
CE1
|
D:HIS71
|
3.0
|
20.1
|
1.0
|
|
CG
|
D:HIS80
|
3.1
|
19.6
|
1.0
|
|
CG
|
D:HIS63
|
3.1
|
24.3
|
1.0
|
|
CG
|
D:HIS71
|
3.2
|
19.9
|
1.0
|
|
CB
|
D:HIS63
|
3.5
|
22.4
|
1.0
|
|
CB
|
D:HIS80
|
3.6
|
16.7
|
1.0
|
|
CB
|
D:HIS71
|
3.6
|
20.5
|
1.0
|
|
O
|
D:LYS136
|
3.9
|
28.1
|
1.0
|
|
CA
|
D:HIS71
|
3.9
|
20.9
|
1.0
|
|
NE2
|
D:HIS80
|
4.0
|
20.7
|
1.0
|
|
CD2
|
D:HIS80
|
4.1
|
19.2
|
1.0
|
|
NE2
|
D:HIS63
|
4.1
|
25.6
|
1.0
|
|
NE2
|
D:HIS71
|
4.2
|
18.8
|
1.0
|
|
CB
|
D:ASP83
|
4.2
|
18.8
|
1.0
|
|
CD2
|
D:HIS63
|
4.2
|
24.2
|
1.0
|
|
CD2
|
D:HIS71
|
4.3
|
18.2
|
1.0
|
|
CA
|
D:ASP83
|
4.7
|
19.0
|
1.0
|
|
N
|
D:HIS80
|
4.7
|
20.1
|
1.0
|
|
CA
|
D:HIS80
|
4.8
|
20.1
|
1.0
|
|
N
|
D:GLY72
|
4.8
|
20.2
|
1.0
|
|
O
|
D:HOH407
|
4.8
|
29.6
|
1.0
|
|
C
|
D:HIS71
|
4.9
|
22.6
|
1.0
|
|
N
|
D:ASP83
|
4.9
|
17.0
|
1.0
|
|
C
|
D:LYS136
|
4.9
|
23.9
|
1.0
|
|
N
|
D:HIS71
|
4.9
|
23.8
|
1.0
|
|
Zinc binding site 6 out
of 9 in 5ytu
Go back to
Zinc Binding Sites List in 5ytu
Zinc binding site 6 out
of 9 in the Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn201
b:61.4
occ:1.00
|
ND1
|
E:HIS80
|
2.0
|
41.5
|
1.0
|
|
ND1
|
E:HIS63
|
2.1
|
39.9
|
1.0
|
|
OD1
|
E:ASP83
|
2.2
|
46.2
|
1.0
|
|
ND1
|
E:HIS71
|
2.4
|
55.4
|
1.0
|
|
CG
|
E:ASP83
|
2.9
|
49.8
|
1.0
|
|
CE1
|
E:HIS80
|
2.9
|
42.2
|
1.0
|
|
OD2
|
E:ASP83
|
3.0
|
51.8
|
1.0
|
|
CG
|
E:HIS63
|
3.0
|
36.0
|
1.0
|
|
CE1
|
E:HIS63
|
3.1
|
38.5
|
1.0
|
|
CG
|
E:HIS80
|
3.1
|
44.0
|
1.0
|
|
CB
|
E:HIS63
|
3.3
|
32.3
|
1.0
|
|
CE1
|
E:HIS71
|
3.4
|
60.6
|
1.0
|
|
CG
|
E:HIS71
|
3.5
|
66.0
|
1.0
|
|
CB
|
E:HIS80
|
3.5
|
38.8
|
1.0
|
|
CB
|
E:HIS71
|
3.7
|
66.8
|
1.0
|
|
O
|
E:LYS136
|
4.0
|
72.1
|
1.0
|
|
CA
|
E:HIS71
|
4.0
|
67.7
|
1.0
|
|
NE2
|
E:HIS80
|
4.1
|
45.7
|
1.0
|
|
CD2
|
E:HIS63
|
4.1
|
37.0
|
1.0
|
|
NE2
|
E:HIS63
|
4.1
|
39.4
|
1.0
|
|
CD2
|
E:HIS80
|
4.2
|
47.8
|
1.0
|
|
CB
|
E:ASP83
|
4.4
|
42.2
|
1.0
|
|
NE2
|
E:HIS71
|
4.5
|
62.9
|
1.0
|
|
CD2
|
E:HIS46
|
4.6
|
43.9
|
1.0
|
|
CD2
|
E:HIS71
|
4.6
|
68.5
|
1.0
|
|
N
|
E:HIS80
|
4.6
|
43.8
|
1.0
|
|
CA
|
E:HIS80
|
4.7
|
38.6
|
1.0
|
|
CA
|
E:HIS63
|
4.8
|
30.1
|
1.0
|
|
N
|
E:GLY72
|
4.9
|
67.2
|
1.0
|
|
C
|
E:LYS136
|
4.9
|
77.8
|
1.0
|
|
O
|
E:HOH357
|
4.9
|
45.0
|
1.0
|
|
CA
|
E:ASP83
|
4.9
|
40.6
|
1.0
|
|
N
|
E:HIS71
|
5.0
|
67.5
|
1.0
|
|
Zinc binding site 7 out
of 9 in 5ytu
Go back to
Zinc Binding Sites List in 5ytu
Zinc binding site 7 out
of 9 in the Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Zn201
b:35.9
occ:1.00
|
OD1
|
F:ASP83
|
2.0
|
31.6
|
1.0
|
|
ND1
|
F:HIS71
|
2.1
|
28.8
|
1.0
|
|
ND1
|
F:HIS80
|
2.1
|
33.1
|
1.0
|
|
ND1
|
F:HIS63
|
2.2
|
30.1
|
1.0
|
|
CG
|
F:ASP83
|
2.8
|
33.4
|
1.0
|
|
CE1
|
F:HIS80
|
2.9
|
33.0
|
1.0
|
|
CE1
|
F:HIS71
|
3.0
|
29.7
|
1.0
|
|
OD2
|
F:ASP83
|
3.0
|
29.6
|
1.0
|
|
CG
|
F:HIS80
|
3.1
|
33.8
|
1.0
|
|
CE1
|
F:HIS63
|
3.1
|
31.2
|
1.0
|
|
CG
|
F:HIS63
|
3.1
|
33.7
|
1.0
|
|
CG
|
F:HIS71
|
3.1
|
32.4
|
1.0
|
|
CB
|
F:HIS63
|
3.4
|
32.5
|
1.0
|
|
CB
|
F:HIS71
|
3.5
|
29.1
|
1.0
|
|
CB
|
F:HIS80
|
3.6
|
31.3
|
1.0
|
|
O
|
F:LYS136
|
3.9
|
38.9
|
1.0
|
|
CA
|
F:HIS71
|
4.0
|
33.1
|
1.0
|
|
NE2
|
F:HIS80
|
4.0
|
34.4
|
1.0
|
|
CD2
|
F:HIS80
|
4.1
|
33.2
|
1.0
|
|
NE2
|
F:HIS71
|
4.1
|
29.4
|
1.0
|
|
CB
|
F:ASP83
|
4.2
|
30.7
|
1.0
|
|
CD2
|
F:HIS71
|
4.2
|
29.5
|
1.0
|
|
NE2
|
F:HIS63
|
4.2
|
32.1
|
1.0
|
|
CD2
|
F:HIS63
|
4.3
|
31.1
|
1.0
|
|
CA
|
F:ASP83
|
4.6
|
30.9
|
1.0
|
|
N
|
F:HIS80
|
4.7
|
31.6
|
1.0
|
|
CA
|
F:HIS80
|
4.8
|
30.6
|
1.0
|
|
C
|
F:LYS136
|
4.8
|
36.5
|
1.0
|
|
N
|
F:GLY72
|
4.8
|
34.1
|
1.0
|
|
N
|
F:ASP83
|
4.8
|
28.7
|
1.0
|
|
CA
|
F:HIS63
|
4.9
|
31.1
|
1.0
|
|
C
|
F:HIS71
|
4.9
|
35.2
|
1.0
|
|
O
|
F:HOH368
|
5.0
|
35.0
|
1.0
|
|
Zinc binding site 8 out
of 9 in 5ytu
Go back to
Zinc Binding Sites List in 5ytu
Zinc binding site 8 out
of 9 in the Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Zn201
b:40.0
occ:1.00
|
OD1
|
I:ASP83
|
2.0
|
41.8
|
1.0
|
|
ND1
|
I:HIS80
|
2.1
|
33.4
|
1.0
|
|
ND1
|
I:HIS63
|
2.1
|
38.1
|
1.0
|
|
ND1
|
I:HIS71
|
2.2
|
35.6
|
1.0
|
|
CG
|
I:ASP83
|
2.8
|
35.7
|
1.0
|
|
OD2
|
I:ASP83
|
2.9
|
34.1
|
1.0
|
|
CE1
|
I:HIS80
|
2.9
|
36.6
|
1.0
|
|
CE1
|
I:HIS63
|
3.1
|
41.6
|
1.0
|
|
CE1
|
I:HIS71
|
3.1
|
34.0
|
1.0
|
|
CG
|
I:HIS80
|
3.1
|
35.6
|
1.0
|
|
CG
|
I:HIS63
|
3.1
|
36.5
|
1.0
|
|
CG
|
I:HIS71
|
3.3
|
35.3
|
1.0
|
|
CB
|
I:HIS63
|
3.4
|
38.7
|
1.0
|
|
CB
|
I:HIS80
|
3.5
|
38.7
|
1.0
|
|
CB
|
I:HIS71
|
3.7
|
35.2
|
1.0
|
|
O
|
I:LYS136
|
3.9
|
37.7
|
1.0
|
|
CA
|
I:HIS71
|
4.0
|
37.1
|
1.0
|
|
NE2
|
I:HIS80
|
4.1
|
33.7
|
1.0
|
|
CD2
|
I:HIS80
|
4.2
|
37.9
|
1.0
|
|
CB
|
I:ASP83
|
4.2
|
38.0
|
1.0
|
|
NE2
|
I:HIS63
|
4.2
|
36.4
|
1.0
|
|
CD2
|
I:HIS63
|
4.2
|
38.2
|
1.0
|
|
NE2
|
I:HIS71
|
4.2
|
36.1
|
1.0
|
|
CD2
|
I:HIS71
|
4.4
|
34.5
|
1.0
|
|
CA
|
I:ASP83
|
4.6
|
40.6
|
1.0
|
|
O
|
I:HOH338
|
4.7
|
36.2
|
1.0
|
|
N
|
I:HIS80
|
4.7
|
44.0
|
1.0
|
|
CA
|
I:HIS80
|
4.7
|
41.6
|
1.0
|
|
CD2
|
I:HIS46
|
4.8
|
39.0
|
1.0
|
|
N
|
I:GLY72
|
4.8
|
38.5
|
1.0
|
|
N
|
I:ASP83
|
4.9
|
40.6
|
1.0
|
|
C
|
I:LYS136
|
4.9
|
36.6
|
1.0
|
|
C
|
I:HIS71
|
4.9
|
34.6
|
1.0
|
|
CA
|
I:HIS63
|
5.0
|
37.1
|
1.0
|
|
Zinc binding site 9 out
of 9 in 5ytu
Go back to
Zinc Binding Sites List in 5ytu
Zinc binding site 9 out
of 9 in the Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 9 of Structure of Human SOD1 Complexed with Isoproteranol in C2221 Space Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Zn201
b:60.7
occ:1.00
|
OD1
|
J:ASP83
|
2.1
|
52.1
|
1.0
|
|
ND1
|
J:HIS63
|
2.1
|
47.0
|
1.0
|
|
ND1
|
J:HIS80
|
2.2
|
46.7
|
1.0
|
|
ND1
|
J:HIS71
|
2.5
|
65.7
|
1.0
|
|
CG
|
J:ASP83
|
2.9
|
53.3
|
1.0
|
|
CE1
|
J:HIS80
|
3.0
|
48.3
|
1.0
|
|
CG
|
J:HIS63
|
3.1
|
49.9
|
1.0
|
|
OD2
|
J:ASP83
|
3.1
|
54.5
|
1.0
|
|
CE1
|
J:HIS63
|
3.1
|
50.7
|
1.0
|
|
CG
|
J:HIS80
|
3.2
|
46.4
|
1.0
|
|
CB
|
J:HIS63
|
3.4
|
45.9
|
1.0
|
|
CE1
|
J:HIS71
|
3.4
|
63.9
|
1.0
|
|
CG
|
J:HIS71
|
3.5
|
63.4
|
1.0
|
|
CB
|
J:HIS80
|
3.6
|
47.8
|
1.0
|
|
CB
|
J:HIS71
|
3.8
|
62.9
|
1.0
|
|
O
|
J:LYS136
|
3.9
|
56.0
|
1.0
|
|
CA
|
J:HIS71
|
4.0
|
63.2
|
1.0
|
|
NE2
|
J:HIS80
|
4.1
|
49.0
|
1.0
|
|
CD2
|
J:HIS80
|
4.2
|
51.8
|
1.0
|
|
NE2
|
J:HIS63
|
4.2
|
49.6
|
1.0
|
|
CD2
|
J:HIS63
|
4.2
|
47.5
|
1.0
|
|
CB
|
J:ASP83
|
4.3
|
46.4
|
1.0
|
|
NE2
|
J:HIS71
|
4.5
|
63.6
|
1.0
|
|
CD2
|
J:HIS71
|
4.6
|
63.8
|
1.0
|
|
CD2
|
J:HIS46
|
4.7
|
45.1
|
1.0
|
|
CA
|
J:ASP83
|
4.7
|
49.7
|
1.0
|
|
N
|
J:HIS80
|
4.7
|
52.7
|
1.0
|
|
CA
|
J:HIS80
|
4.8
|
50.8
|
1.0
|
|
N
|
J:GLY72
|
4.8
|
60.9
|
1.0
|
|
CA
|
J:HIS63
|
4.9
|
46.4
|
1.0
|
|
C
|
J:LYS136
|
4.9
|
59.6
|
1.0
|
|
C
|
J:HIS71
|
5.0
|
61.9
|
1.0
|
|
N
|
J:ASP83
|
5.0
|
47.9
|
1.0
|
|
Reference:
R.Manjula,
G.S.A.Wright,
R.W.Strange,
B.Padmanabhan.
Assessment of Ligand Binding at A Site Relevant to SOD1 Oxidation and Aggregation Febs Lett. V. 592 1725 2018.
ISSN: ISSN 1873-3468
PubMed: 29679384
DOI: 10.1002/1873-3468.13055
Page generated: Mon Oct 28 16:18:26 2024
|
