Copper in PDB 4oh2: Crystal Structure of Cu/Zn Superoxide Dismutase I149T
Enzymatic activity of Crystal Structure of Cu/Zn Superoxide Dismutase I149T
All present enzymatic activity of Crystal Structure of Cu/Zn Superoxide Dismutase I149T:
1.15.1.1;
Protein crystallography data
The structure of Crystal Structure of Cu/Zn Superoxide Dismutase I149T, PDB code: 4oh2
was solved by
B.R.Crane,
G.E.Merz,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
36.10 /
2.38
|
|
Space group
|
C 2 2 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
165.099,
203.811,
144.407,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
16.3 /
21.6
|
Other elements in 4oh2:
The structure of Crystal Structure of Cu/Zn Superoxide Dismutase I149T also contains other interesting chemical elements:
Copper Binding Sites:
The binding sites of Copper atom in the Crystal Structure of Cu/Zn Superoxide Dismutase I149T
(pdb code 4oh2). This binding sites where shown within
5.0 Angstroms radius around Copper atom.
In total 10 binding sites of Copper where determined in the
Crystal Structure of Cu/Zn Superoxide Dismutase I149T, PDB code: 4oh2:
Jump to Copper binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Copper binding site 1 out
of 10 in 4oh2
Go back to
Copper Binding Sites List in 4oh2
Copper binding site 1 out
of 10 in the Crystal Structure of Cu/Zn Superoxide Dismutase I149T
 Mono view
 Stereo pair view
|
|
A full contact list of Copper with other atoms in the Cu binding
site number 1 of Crystal Structure of Cu/Zn Superoxide Dismutase I149T within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu201
b:36.8
occ:1.00
|
NE2
|
A:HIS120
|
2.0
|
27.3
|
1.0
|
|
ND1
|
A:HIS46
|
2.1
|
26.0
|
1.0
|
|
NE2
|
A:HIS48
|
2.2
|
17.6
|
1.0
|
|
HB2
|
A:HIS46
|
2.7
|
18.3
|
1.0
|
|
HE2
|
A:HIS63
|
2.8
|
29.0
|
1.0
|
|
CD2
|
A:HIS120
|
2.8
|
17.8
|
1.0
|
|
HD2
|
A:HIS120
|
3.0
|
21.3
|
1.0
|
|
CG
|
A:HIS46
|
3.0
|
25.9
|
1.0
|
|
CE1
|
A:HIS120
|
3.0
|
23.2
|
1.0
|
|
CE1
|
A:HIS46
|
3.0
|
27.7
|
1.0
|
|
HB
|
A:VAL118
|
3.1
|
24.9
|
1.0
|
|
CD2
|
A:HIS48
|
3.2
|
24.5
|
1.0
|
|
CE1
|
A:HIS48
|
3.2
|
18.7
|
1.0
|
|
HE1
|
A:HIS46
|
3.2
|
33.2
|
1.0
|
|
NE2
|
A:HIS63
|
3.3
|
24.2
|
1.0
|
|
CB
|
A:HIS46
|
3.3
|
15.2
|
1.0
|
|
HE1
|
A:HIS120
|
3.3
|
27.9
|
1.0
|
|
HD2
|
A:HIS48
|
3.3
|
29.4
|
1.0
|
|
HE1
|
A:HIS48
|
3.4
|
22.4
|
1.0
|
|
O
|
A:HOH358
|
3.4
|
40.1
|
1.0
|
|
HD2
|
A:HIS63
|
3.6
|
28.1
|
1.0
|
|
CD2
|
A:HIS63
|
3.7
|
23.4
|
1.0
|
|
H
|
A:HIS46
|
3.9
|
22.2
|
1.0
|
|
HG11
|
A:VAL118
|
3.9
|
22.8
|
1.0
|
|
CB
|
A:VAL118
|
4.0
|
20.7
|
1.0
|
|
HB3
|
A:HIS46
|
4.0
|
18.3
|
1.0
|
|
CG
|
A:HIS120
|
4.0
|
20.8
|
1.0
|
|
ND1
|
A:HIS120
|
4.1
|
22.8
|
1.0
|
|
HG12
|
A:VAL118
|
4.1
|
22.8
|
1.0
|
|
NE2
|
A:HIS46
|
4.2
|
22.9
|
1.0
|
|
CD2
|
A:HIS46
|
4.2
|
23.8
|
1.0
|
|
N
|
A:HIS46
|
4.2
|
18.5
|
1.0
|
|
CG1
|
A:VAL118
|
4.2
|
19.0
|
1.0
|
|
CA
|
A:HIS46
|
4.3
|
19.8
|
1.0
|
|
CE1
|
A:HIS63
|
4.3
|
26.2
|
1.0
|
|
ND1
|
A:HIS48
|
4.3
|
29.8
|
1.0
|
|
CG
|
A:HIS48
|
4.3
|
23.8
|
1.0
|
|
O
|
A:HOH389
|
4.4
|
34.2
|
1.0
|
|
HG21
|
A:VAL118
|
4.4
|
24.3
|
1.0
|
|
O
|
A:VAL118
|
4.5
|
16.6
|
1.0
|
|
O
|
A:HIS46
|
4.5
|
17.9
|
1.0
|
|
HE1
|
A:HIS63
|
4.6
|
31.5
|
1.0
|
|
C
|
A:HIS46
|
4.7
|
19.9
|
1.0
|
|
HG2
|
A:ARG143
|
4.7
|
20.7
|
1.0
|
|
CG2
|
A:VAL118
|
4.7
|
20.3
|
1.0
|
|
CG
|
A:HIS63
|
4.8
|
25.4
|
1.0
|
|
HD1
|
A:HIS120
|
4.9
|
27.4
|
1.0
|
|
HE2
|
A:HIS46
|
4.9
|
27.5
|
1.0
|
|
HG23
|
A:VAL118
|
4.9
|
24.3
|
1.0
|
|
C
|
A:VAL118
|
5.0
|
20.4
|
1.0
|
|
Copper binding site 2 out
of 10 in 4oh2
Go back to
Copper Binding Sites List in 4oh2
Copper binding site 2 out
of 10 in the Crystal Structure of Cu/Zn Superoxide Dismutase I149T
 Mono view
 Stereo pair view
|
|
A full contact list of Copper with other atoms in the Cu binding
site number 2 of Crystal Structure of Cu/Zn Superoxide Dismutase I149T within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cu201
b:34.2
occ:1.00
|
NE2
|
B:HIS120
|
2.0
|
23.9
|
1.0
|
|
NE2
|
B:HIS48
|
2.1
|
17.3
|
1.0
|
|
ND1
|
B:HIS46
|
2.2
|
19.5
|
1.0
|
|
HB2
|
B:HIS46
|
2.6
|
18.5
|
1.0
|
|
HE2
|
B:HIS63
|
2.8
|
22.7
|
1.0
|
|
CD2
|
B:HIS120
|
2.8
|
15.3
|
1.0
|
|
HD2
|
B:HIS120
|
3.0
|
18.4
|
1.0
|
|
CE1
|
B:HIS48
|
3.0
|
13.7
|
1.0
|
|
CE1
|
B:HIS120
|
3.1
|
16.5
|
1.0
|
|
CG
|
B:HIS46
|
3.1
|
16.9
|
1.0
|
|
HE1
|
B:HIS48
|
3.1
|
16.5
|
1.0
|
|
HB
|
B:VAL118
|
3.2
|
16.3
|
1.0
|
|
CD2
|
B:HIS48
|
3.2
|
18.3
|
1.0
|
|
NE2
|
B:HIS63
|
3.2
|
18.9
|
1.0
|
|
CE1
|
B:HIS46
|
3.2
|
21.9
|
1.0
|
|
CB
|
B:HIS46
|
3.3
|
15.4
|
1.0
|
|
HE1
|
B:HIS120
|
3.3
|
19.8
|
1.0
|
|
HD2
|
B:HIS63
|
3.4
|
22.1
|
1.0
|
|
HD2
|
B:HIS48
|
3.4
|
22.0
|
1.0
|
|
HE1
|
B:HIS46
|
3.5
|
26.3
|
1.0
|
|
CD2
|
B:HIS63
|
3.5
|
18.4
|
1.0
|
|
O
|
B:HOH324
|
3.6
|
29.6
|
1.0
|
|
HG11
|
B:VAL118
|
3.8
|
18.5
|
1.0
|
|
O
|
B:HOH316
|
3.8
|
24.9
|
1.0
|
|
H
|
B:HIS46
|
3.9
|
17.0
|
1.0
|
|
HG12
|
B:VAL118
|
3.9
|
18.5
|
1.0
|
|
HB3
|
B:HIS46
|
4.0
|
18.5
|
1.0
|
|
CB
|
B:VAL118
|
4.0
|
13.6
|
1.0
|
|
CG
|
B:HIS120
|
4.0
|
18.3
|
1.0
|
|
ND1
|
B:HIS120
|
4.1
|
16.2
|
1.0
|
|
CG1
|
B:VAL118
|
4.1
|
15.4
|
1.0
|
|
ND1
|
B:HIS48
|
4.1
|
17.2
|
1.0
|
|
N
|
B:HIS46
|
4.2
|
14.2
|
1.0
|
|
CA
|
B:HIS46
|
4.2
|
14.9
|
1.0
|
|
CE1
|
B:HIS63
|
4.2
|
18.3
|
1.0
|
|
CG
|
B:HIS48
|
4.3
|
18.1
|
1.0
|
|
CD2
|
B:HIS46
|
4.3
|
21.6
|
1.0
|
|
NE2
|
B:HIS46
|
4.3
|
19.2
|
1.0
|
|
O
|
B:HIS46
|
4.4
|
15.6
|
1.0
|
|
O
|
B:VAL118
|
4.5
|
15.6
|
1.0
|
|
HG21
|
B:VAL118
|
4.5
|
24.1
|
1.0
|
|
C
|
B:HIS46
|
4.6
|
13.9
|
1.0
|
|
HE1
|
B:HIS63
|
4.6
|
21.9
|
1.0
|
|
CG
|
B:HIS63
|
4.7
|
15.6
|
1.0
|
|
HG2
|
B:ARG143
|
4.7
|
16.4
|
1.0
|
|
CG2
|
B:VAL118
|
4.8
|
20.1
|
1.0
|
|
HD1
|
B:HIS48
|
4.9
|
20.7
|
1.0
|
|
HD1
|
B:HIS120
|
4.9
|
19.5
|
1.0
|
|
C
|
B:VAL118
|
4.9
|
19.0
|
1.0
|
|
ND1
|
B:HIS63
|
5.0
|
16.2
|
1.0
|
|
Copper binding site 3 out
of 10 in 4oh2
Go back to
Copper Binding Sites List in 4oh2
Copper binding site 3 out
of 10 in the Crystal Structure of Cu/Zn Superoxide Dismutase I149T
 Mono view
 Stereo pair view
|
|
A full contact list of Copper with other atoms in the Cu binding
site number 3 of Crystal Structure of Cu/Zn Superoxide Dismutase I149T within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cu201
b:39.1
occ:1.00
|
NE2
|
C:HIS120
|
2.1
|
22.9
|
1.0
|
|
NE2
|
C:HIS48
|
2.1
|
24.1
|
1.0
|
|
ND1
|
C:HIS46
|
2.2
|
32.0
|
1.0
|
|
HE2
|
C:HIS63
|
2.7
|
47.7
|
1.0
|
|
HB2
|
C:HIS46
|
2.8
|
25.2
|
1.0
|
|
CD2
|
C:HIS120
|
3.0
|
18.6
|
1.0
|
|
HD2
|
C:HIS120
|
3.1
|
22.3
|
1.0
|
|
CD2
|
C:HIS48
|
3.1
|
18.8
|
1.0
|
|
CE1
|
C:HIS48
|
3.1
|
26.3
|
1.0
|
|
HB
|
C:VAL118
|
3.1
|
27.3
|
1.0
|
|
CE1
|
C:HIS120
|
3.1
|
25.4
|
1.0
|
|
CE1
|
C:HIS46
|
3.1
|
33.7
|
1.0
|
|
CG
|
C:HIS46
|
3.1
|
32.3
|
1.0
|
|
NE2
|
C:HIS63
|
3.2
|
39.7
|
1.0
|
|
HD2
|
C:HIS48
|
3.2
|
22.5
|
1.0
|
|
HE1
|
C:HIS48
|
3.3
|
31.6
|
1.0
|
|
HE1
|
C:HIS46
|
3.3
|
40.4
|
1.0
|
|
HE1
|
C:HIS120
|
3.4
|
30.5
|
1.0
|
|
CB
|
C:HIS46
|
3.4
|
21.0
|
1.0
|
|
O
|
C:HOH317
|
3.5
|
41.0
|
1.0
|
|
HD2
|
C:HIS63
|
3.6
|
50.0
|
1.0
|
|
CD2
|
C:HIS63
|
3.7
|
41.6
|
1.0
|
|
HG11
|
C:VAL118
|
3.7
|
27.4
|
1.0
|
|
H
|
C:HIS46
|
3.8
|
30.1
|
1.0
|
|
CB
|
C:VAL118
|
4.0
|
22.7
|
1.0
|
|
HG12
|
C:VAL118
|
4.0
|
27.4
|
1.0
|
|
CG1
|
C:VAL118
|
4.1
|
22.8
|
1.0
|
|
HB3
|
C:HIS46
|
4.1
|
25.2
|
1.0
|
|
CG
|
C:HIS120
|
4.1
|
34.6
|
1.0
|
|
CE1
|
C:HIS63
|
4.2
|
36.9
|
1.0
|
|
ND1
|
C:HIS120
|
4.2
|
32.0
|
1.0
|
|
ND1
|
C:HIS48
|
4.2
|
23.6
|
1.0
|
|
CG
|
C:HIS48
|
4.2
|
18.1
|
1.0
|
|
NE2
|
C:HIS46
|
4.2
|
32.7
|
1.0
|
|
N
|
C:HIS46
|
4.3
|
25.1
|
1.0
|
|
CD2
|
C:HIS46
|
4.3
|
36.7
|
1.0
|
|
CA
|
C:HIS46
|
4.3
|
24.4
|
1.0
|
|
HG21
|
C:VAL118
|
4.3
|
32.2
|
1.0
|
|
O
|
C:VAL118
|
4.5
|
23.1
|
1.0
|
|
O
|
C:HOH308
|
4.5
|
34.0
|
1.0
|
|
HE1
|
C:HIS63
|
4.5
|
44.3
|
1.0
|
|
O
|
C:HIS46
|
4.5
|
24.3
|
1.0
|
|
CG2
|
C:VAL118
|
4.7
|
26.8
|
1.0
|
|
C
|
C:HIS46
|
4.7
|
28.6
|
1.0
|
|
CG
|
C:HIS63
|
4.7
|
26.3
|
1.0
|
|
HB3
|
C:ALA140
|
4.9
|
49.8
|
1.0
|
|
HG23
|
C:VAL118
|
4.9
|
32.2
|
1.0
|
|
HG2
|
C:ARG143
|
4.9
|
23.6
|
1.0
|
|
ND1
|
C:HIS63
|
5.0
|
28.0
|
1.0
|
|
HD1
|
C:HIS48
|
5.0
|
28.4
|
1.0
|
|
HD1
|
C:HIS120
|
5.0
|
38.5
|
1.0
|
|
C
|
C:VAL118
|
5.0
|
29.1
|
1.0
|
|
Copper binding site 4 out
of 10 in 4oh2
Go back to
Copper Binding Sites List in 4oh2
Copper binding site 4 out
of 10 in the Crystal Structure of Cu/Zn Superoxide Dismutase I149T
 Mono view
 Stereo pair view
|
|
A full contact list of Copper with other atoms in the Cu binding
site number 4 of Crystal Structure of Cu/Zn Superoxide Dismutase I149T within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cu201
b:32.8
occ:1.00
|
NE2
|
D:HIS120
|
2.0
|
19.9
|
1.0
|
|
ND1
|
D:HIS46
|
2.1
|
16.8
|
1.0
|
|
NE2
|
D:HIS48
|
2.2
|
16.6
|
1.0
|
|
HB2
|
D:HIS46
|
2.6
|
17.5
|
1.0
|
|
CD2
|
D:HIS120
|
2.9
|
13.8
|
1.0
|
|
HE2
|
D:HIS63
|
2.9
|
22.6
|
1.0
|
|
CE1
|
D:HIS120
|
3.0
|
13.5
|
1.0
|
|
CG
|
D:HIS46
|
3.0
|
20.5
|
1.0
|
|
HD2
|
D:HIS120
|
3.0
|
16.5
|
1.0
|
|
CE1
|
D:HIS48
|
3.1
|
14.4
|
1.0
|
|
HB
|
D:VAL118
|
3.1
|
16.1
|
1.0
|
|
CD2
|
D:HIS48
|
3.1
|
12.8
|
1.0
|
|
CE1
|
D:HIS46
|
3.2
|
22.6
|
1.0
|
|
HE1
|
D:HIS120
|
3.2
|
16.2
|
1.0
|
|
CB
|
D:HIS46
|
3.3
|
14.6
|
1.0
|
|
HE1
|
D:HIS48
|
3.3
|
17.3
|
1.0
|
|
NE2
|
D:HIS63
|
3.3
|
18.8
|
1.0
|
|
HD2
|
D:HIS48
|
3.3
|
15.4
|
1.0
|
|
HE1
|
D:HIS46
|
3.4
|
27.1
|
1.0
|
|
O
|
D:HOH324
|
3.4
|
29.7
|
1.0
|
|
HD2
|
D:HIS63
|
3.5
|
23.5
|
1.0
|
|
CD2
|
D:HIS63
|
3.6
|
19.6
|
1.0
|
|
HG11
|
D:VAL118
|
3.7
|
19.1
|
1.0
|
|
H
|
D:HIS46
|
3.8
|
19.9
|
1.0
|
|
HG12
|
D:VAL118
|
3.9
|
19.1
|
1.0
|
|
HB3
|
D:HIS46
|
3.9
|
17.5
|
1.0
|
|
CB
|
D:VAL118
|
4.0
|
13.4
|
1.0
|
|
CG
|
D:HIS120
|
4.0
|
19.2
|
1.0
|
|
ND1
|
D:HIS120
|
4.0
|
18.2
|
1.0
|
|
CG1
|
D:VAL118
|
4.1
|
15.9
|
1.0
|
|
N
|
D:HIS46
|
4.2
|
16.6
|
1.0
|
|
CD2
|
D:HIS46
|
4.2
|
17.0
|
1.0
|
|
CA
|
D:HIS46
|
4.2
|
16.0
|
1.0
|
|
ND1
|
D:HIS48
|
4.2
|
16.0
|
1.0
|
|
NE2
|
D:HIS46
|
4.2
|
16.0
|
1.0
|
|
O
|
D:HOH337
|
4.3
|
30.6
|
1.0
|
|
CG
|
D:HIS48
|
4.3
|
12.0
|
1.0
|
|
CE1
|
D:HIS63
|
4.3
|
16.5
|
1.0
|
|
HG21
|
D:VAL118
|
4.4
|
19.6
|
1.0
|
|
O
|
D:VAL118
|
4.5
|
12.3
|
1.0
|
|
O
|
D:HIS46
|
4.6
|
15.9
|
1.0
|
|
HE1
|
D:HIS63
|
4.6
|
19.8
|
1.0
|
|
C
|
D:HIS46
|
4.6
|
20.1
|
1.0
|
|
CG
|
D:HIS63
|
4.7
|
18.3
|
1.0
|
|
CG2
|
D:VAL118
|
4.8
|
16.3
|
1.0
|
|
HD1
|
D:HIS120
|
4.8
|
21.9
|
1.0
|
|
C
|
D:VAL118
|
5.0
|
15.3
|
1.0
|
|
Copper binding site 5 out
of 10 in 4oh2
Go back to
Copper Binding Sites List in 4oh2
Copper binding site 5 out
of 10 in the Crystal Structure of Cu/Zn Superoxide Dismutase I149T
 Mono view
 Stereo pair view
|
|
A full contact list of Copper with other atoms in the Cu binding
site number 5 of Crystal Structure of Cu/Zn Superoxide Dismutase I149T within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cu201
b:50.3
occ:1.00
|
HD1
|
E:HIS46
|
1.8
|
63.4
|
1.0
|
|
NE2
|
E:HIS48
|
2.3
|
24.6
|
1.0
|
|
NE2
|
E:HIS120
|
2.3
|
31.7
|
1.0
|
|
HB2
|
E:HIS46
|
2.3
|
30.1
|
1.0
|
|
ND1
|
E:HIS46
|
2.4
|
52.8
|
1.0
|
|
HD2
|
E:HIS120
|
2.8
|
35.0
|
1.0
|
|
CD2
|
E:HIS120
|
2.9
|
29.2
|
1.0
|
|
HB
|
E:VAL118
|
3.0
|
33.1
|
1.0
|
|
CG
|
E:HIS46
|
3.0
|
40.8
|
1.0
|
|
CB
|
E:HIS46
|
3.1
|
25.1
|
1.0
|
|
CD2
|
E:HIS48
|
3.1
|
18.2
|
1.0
|
|
HD2
|
E:HIS48
|
3.2
|
21.8
|
1.0
|
|
CE1
|
E:HIS48
|
3.3
|
26.1
|
1.0
|
|
CE1
|
E:HIS120
|
3.5
|
37.7
|
1.0
|
|
CE1
|
E:HIS46
|
3.5
|
46.2
|
1.0
|
|
HE1
|
E:HIS48
|
3.5
|
31.3
|
1.0
|
|
HE1
|
E:HIS63
|
3.5
|
63.9
|
1.0
|
|
CE1
|
E:HIS63
|
3.6
|
53.3
|
1.0
|
|
NE2
|
E:HIS63
|
3.6
|
46.8
|
1.0
|
|
HB3
|
E:HIS46
|
3.7
|
30.1
|
1.0
|
|
HE2
|
E:HIS63
|
3.7
|
56.2
|
1.0
|
|
HG11
|
E:VAL118
|
3.7
|
37.9
|
1.0
|
|
HE1
|
E:HIS46
|
3.8
|
55.4
|
1.0
|
|
HE1
|
E:HIS120
|
3.8
|
45.2
|
1.0
|
|
CB
|
E:VAL118
|
3.9
|
27.6
|
1.0
|
|
HG12
|
E:VAL118
|
3.9
|
37.9
|
1.0
|
|
H
|
E:HIS46
|
4.0
|
38.4
|
1.0
|
|
CG1
|
E:VAL118
|
4.0
|
31.6
|
1.0
|
|
CG
|
E:HIS120
|
4.2
|
30.9
|
1.0
|
|
ND1
|
E:HIS63
|
4.2
|
50.5
|
1.0
|
|
CA
|
E:HIS46
|
4.2
|
28.0
|
1.0
|
|
N
|
E:HIS46
|
4.2
|
32.0
|
1.0
|
|
CD2
|
E:HIS46
|
4.2
|
40.8
|
1.0
|
|
CD2
|
E:HIS63
|
4.3
|
49.8
|
1.0
|
|
CG
|
E:HIS48
|
4.3
|
23.4
|
1.0
|
|
HG21
|
E:VAL118
|
4.3
|
30.1
|
1.0
|
|
ND1
|
E:HIS48
|
4.4
|
29.6
|
1.0
|
|
O
|
E:VAL118
|
4.4
|
31.1
|
1.0
|
|
ND1
|
E:HIS120
|
4.4
|
46.8
|
1.0
|
|
NE2
|
E:HIS46
|
4.4
|
54.6
|
1.0
|
|
HD1
|
E:HIS63
|
4.5
|
60.6
|
1.0
|
|
CG
|
E:HIS63
|
4.6
|
40.5
|
1.0
|
|
O
|
E:HIS46
|
4.6
|
24.1
|
1.0
|
|
CG2
|
E:VAL118
|
4.6
|
25.1
|
1.0
|
|
C
|
E:HIS46
|
4.6
|
38.3
|
1.0
|
|
HD2
|
E:HIS63
|
4.8
|
59.7
|
1.0
|
|
HG23
|
E:VAL118
|
4.8
|
30.1
|
1.0
|
|
C
|
E:VAL118
|
4.8
|
36.8
|
1.0
|
|
H
|
E:VAL118
|
4.9
|
35.5
|
1.0
|
|
CA
|
E:VAL118
|
4.9
|
25.5
|
1.0
|
|
HA
|
E:HIS46
|
5.0
|
33.6
|
1.0
|
|
HD2
|
E:HIS46
|
5.0
|
49.0
|
1.0
|
|
Copper binding site 6 out
of 10 in 4oh2
Go back to
Copper Binding Sites List in 4oh2
Copper binding site 6 out
of 10 in the Crystal Structure of Cu/Zn Superoxide Dismutase I149T
 Mono view
 Stereo pair view
|
|
A full contact list of Copper with other atoms in the Cu binding
site number 6 of Crystal Structure of Cu/Zn Superoxide Dismutase I149T within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cu201
b:35.4
occ:1.00
|
NE2
|
F:HIS120
|
2.0
|
21.2
|
1.0
|
|
NE2
|
F:HIS48
|
2.1
|
18.8
|
1.0
|
|
ND1
|
F:HIS46
|
2.2
|
24.9
|
1.0
|
|
HB2
|
F:HIS46
|
2.6
|
22.2
|
1.0
|
|
CE1
|
F:HIS120
|
2.9
|
18.3
|
1.0
|
|
HE2
|
F:HIS63
|
2.9
|
19.7
|
1.0
|
|
CD2
|
F:HIS120
|
3.0
|
14.4
|
1.0
|
|
CE1
|
F:HIS48
|
3.0
|
11.2
|
1.0
|
|
HE1
|
F:HIS120
|
3.1
|
21.9
|
1.0
|
|
CG
|
F:HIS46
|
3.1
|
19.0
|
1.0
|
|
CD2
|
F:HIS48
|
3.1
|
21.2
|
1.0
|
|
HB
|
F:VAL118
|
3.1
|
18.4
|
1.0
|
|
HE1
|
F:HIS48
|
3.2
|
13.5
|
1.0
|
|
HD2
|
F:HIS120
|
3.2
|
17.2
|
1.0
|
|
CE1
|
F:HIS46
|
3.2
|
27.4
|
1.0
|
|
CB
|
F:HIS46
|
3.3
|
18.5
|
1.0
|
|
NE2
|
F:HIS63
|
3.3
|
16.4
|
1.0
|
|
HD2
|
F:HIS48
|
3.3
|
25.4
|
1.0
|
|
HE1
|
F:HIS46
|
3.5
|
32.8
|
1.0
|
|
HD2
|
F:HIS63
|
3.5
|
35.5
|
1.0
|
|
O
|
F:HOH329
|
3.6
|
35.5
|
1.0
|
|
CD2
|
F:HIS63
|
3.6
|
29.6
|
1.0
|
|
HG11
|
F:VAL118
|
3.8
|
19.4
|
1.0
|
|
HB3
|
F:HIS46
|
3.9
|
22.2
|
1.0
|
|
H
|
F:HIS46
|
4.0
|
22.7
|
1.0
|
|
CB
|
F:VAL118
|
4.0
|
15.3
|
1.0
|
|
ND1
|
F:HIS120
|
4.0
|
18.2
|
1.0
|
|
CG
|
F:HIS120
|
4.1
|
13.2
|
1.0
|
|
HG12
|
F:VAL118
|
4.1
|
19.4
|
1.0
|
|
ND1
|
F:HIS48
|
4.1
|
22.1
|
1.0
|
|
CG1
|
F:VAL118
|
4.2
|
16.2
|
1.0
|
|
CG
|
F:HIS48
|
4.2
|
22.6
|
1.0
|
|
CA
|
F:HIS46
|
4.2
|
21.0
|
1.0
|
|
CD2
|
F:HIS46
|
4.2
|
19.7
|
1.0
|
|
N
|
F:HIS46
|
4.3
|
18.9
|
1.0
|
|
CE1
|
F:HIS63
|
4.3
|
22.0
|
1.0
|
|
NE2
|
F:HIS46
|
4.3
|
20.4
|
1.0
|
|
HG21
|
F:VAL118
|
4.3
|
18.8
|
1.0
|
|
O
|
F:HIS46
|
4.4
|
19.8
|
1.0
|
|
O
|
F:VAL118
|
4.5
|
13.7
|
1.0
|
|
C
|
F:HIS46
|
4.6
|
21.7
|
1.0
|
|
CG2
|
F:VAL118
|
4.7
|
15.7
|
1.0
|
|
HE1
|
F:HIS63
|
4.7
|
26.4
|
1.0
|
|
CG
|
F:HIS63
|
4.7
|
22.9
|
1.0
|
|
HD1
|
F:HIS120
|
4.8
|
21.8
|
1.0
|
|
HG23
|
F:VAL118
|
4.9
|
18.8
|
1.0
|
|
HD1
|
F:HIS48
|
4.9
|
26.5
|
1.0
|
|
Copper binding site 7 out
of 10 in 4oh2
Go back to
Copper Binding Sites List in 4oh2
Copper binding site 7 out
of 10 in the Crystal Structure of Cu/Zn Superoxide Dismutase I149T
 Mono view
 Stereo pair view
|
|
A full contact list of Copper with other atoms in the Cu binding
site number 7 of Crystal Structure of Cu/Zn Superoxide Dismutase I149T within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Cu201
b:59.1
occ:1.00
|
HE2
|
G:HIS120
|
1.6
|
42.8
|
1.0
|
|
NE2
|
G:HIS48
|
2.1
|
29.6
|
1.0
|
|
ND1
|
G:HIS46
|
2.3
|
45.5
|
1.0
|
|
NE2
|
G:HIS120
|
2.3
|
35.6
|
1.0
|
|
HB2
|
G:HIS46
|
2.7
|
46.1
|
1.0
|
|
HD2
|
G:HIS120
|
2.7
|
29.8
|
1.0
|
|
CD2
|
G:HIS120
|
2.8
|
24.9
|
1.0
|
|
CD2
|
G:HIS48
|
3.1
|
16.7
|
1.0
|
|
CE1
|
G:HIS48
|
3.1
|
32.5
|
1.0
|
|
CG
|
G:HIS46
|
3.2
|
47.2
|
1.0
|
|
HD2
|
G:HIS48
|
3.2
|
20.0
|
1.0
|
|
HB
|
G:VAL118
|
3.3
|
32.3
|
1.0
|
|
CE1
|
G:HIS46
|
3.3
|
40.0
|
1.0
|
|
HE1
|
G:HIS48
|
3.4
|
39.0
|
1.0
|
|
CB
|
G:HIS46
|
3.4
|
38.4
|
1.0
|
|
HE1
|
G:HIS63
|
3.4
|
54.1
|
1.0
|
|
HE1
|
G:HIS46
|
3.5
|
48.0
|
1.0
|
|
CE1
|
G:HIS120
|
3.5
|
33.8
|
1.0
|
|
CE1
|
G:HIS63
|
3.5
|
45.1
|
1.0
|
|
HG11
|
G:VAL118
|
3.7
|
40.6
|
1.0
|
|
NE2
|
G:HIS63
|
3.7
|
55.2
|
1.0
|
|
HE2
|
G:HIS63
|
3.8
|
66.3
|
1.0
|
|
HE1
|
G:HIS120
|
3.9
|
40.6
|
1.0
|
|
HG12
|
G:VAL118
|
3.9
|
40.6
|
1.0
|
|
HB3
|
G:HIS46
|
4.0
|
46.1
|
1.0
|
|
H
|
G:HIS46
|
4.0
|
41.8
|
1.0
|
|
CB
|
G:VAL118
|
4.1
|
26.9
|
1.0
|
|
CG1
|
G:VAL118
|
4.1
|
33.8
|
1.0
|
|
CG
|
G:HIS120
|
4.1
|
35.6
|
1.0
|
|
ND1
|
G:HIS63
|
4.1
|
50.9
|
1.0
|
|
CG
|
G:HIS48
|
4.2
|
22.7
|
1.0
|
|
ND1
|
G:HIS48
|
4.2
|
24.2
|
1.0
|
|
CD2
|
G:HIS46
|
4.3
|
45.1
|
1.0
|
|
NE2
|
G:HIS46
|
4.4
|
51.4
|
1.0
|
|
ND1
|
G:HIS120
|
4.4
|
43.2
|
1.0
|
|
CA
|
G:HIS46
|
4.4
|
32.7
|
1.0
|
|
N
|
G:HIS46
|
4.4
|
34.8
|
1.0
|
|
HG21
|
G:VAL118
|
4.4
|
38.0
|
1.0
|
|
CD2
|
G:HIS63
|
4.5
|
54.0
|
1.0
|
|
O
|
G:VAL118
|
4.6
|
27.9
|
1.0
|
|
CG
|
G:HIS63
|
4.7
|
46.4
|
1.0
|
|
O
|
G:HIS46
|
4.7
|
26.3
|
1.0
|
|
HE
|
G:ARG143
|
4.8
|
41.2
|
1.0
|
|
CG2
|
G:VAL118
|
4.8
|
31.7
|
1.0
|
|
C
|
G:HIS46
|
4.8
|
37.3
|
1.0
|
|
HG2
|
G:ARG143
|
4.8
|
31.9
|
1.0
|
|
O
|
G:HOH314
|
4.9
|
41.2
|
1.0
|
|
Copper binding site 8 out
of 10 in 4oh2
Go back to
Copper Binding Sites List in 4oh2
Copper binding site 8 out
of 10 in the Crystal Structure of Cu/Zn Superoxide Dismutase I149T
 Mono view
 Stereo pair view
|
|
A full contact list of Copper with other atoms in the Cu binding
site number 8 of Crystal Structure of Cu/Zn Superoxide Dismutase I149T within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cu201
b:39.3
occ:1.00
|
NE2
|
H:HIS120
|
2.0
|
21.1
|
1.0
|
|
NE2
|
H:HIS48
|
2.1
|
17.1
|
1.0
|
|
ND1
|
H:HIS46
|
2.2
|
21.9
|
1.0
|
|
HB2
|
H:HIS46
|
2.4
|
17.6
|
1.0
|
|
HE2
|
H:HIS63
|
2.9
|
31.8
|
1.0
|
|
CD2
|
H:HIS120
|
2.9
|
16.7
|
1.0
|
|
CG
|
H:HIS46
|
3.0
|
22.3
|
1.0
|
|
HD2
|
H:HIS120
|
3.0
|
20.1
|
1.0
|
|
CD2
|
H:HIS48
|
3.1
|
18.3
|
1.0
|
|
CE1
|
H:HIS120
|
3.1
|
15.8
|
1.0
|
|
CE1
|
H:HIS48
|
3.1
|
16.1
|
1.0
|
|
CB
|
H:HIS46
|
3.1
|
14.7
|
1.0
|
|
HB
|
H:VAL118
|
3.2
|
20.6
|
1.0
|
|
HD2
|
H:HIS48
|
3.2
|
21.9
|
1.0
|
|
CE1
|
H:HIS46
|
3.3
|
23.8
|
1.0
|
|
HE1
|
H:HIS48
|
3.3
|
19.3
|
1.0
|
|
NE2
|
H:HIS63
|
3.3
|
26.5
|
1.0
|
|
HE1
|
H:HIS120
|
3.3
|
19.0
|
1.0
|
|
O
|
H:HOH347
|
3.4
|
37.4
|
1.0
|
|
HD2
|
H:HIS63
|
3.5
|
29.0
|
1.0
|
|
HE1
|
H:HIS46
|
3.6
|
28.6
|
1.0
|
|
CD2
|
H:HIS63
|
3.7
|
24.1
|
1.0
|
|
HG11
|
H:VAL118
|
3.7
|
22.6
|
1.0
|
|
HB3
|
H:HIS46
|
3.7
|
17.6
|
1.0
|
|
HG12
|
H:VAL118
|
3.9
|
22.6
|
1.0
|
|
H
|
H:HIS46
|
3.9
|
23.1
|
1.0
|
|
CB
|
H:VAL118
|
4.0
|
17.2
|
1.0
|
|
CG1
|
H:VAL118
|
4.0
|
18.9
|
1.0
|
|
CG
|
H:HIS120
|
4.0
|
19.5
|
1.0
|
|
ND1
|
H:HIS120
|
4.1
|
24.1
|
1.0
|
|
CA
|
H:HIS46
|
4.2
|
18.1
|
1.0
|
|
ND1
|
H:HIS48
|
4.2
|
19.7
|
1.0
|
|
CD2
|
H:HIS46
|
4.2
|
23.3
|
1.0
|
|
CG
|
H:HIS48
|
4.2
|
14.5
|
1.0
|
|
N
|
H:HIS46
|
4.2
|
19.2
|
1.0
|
|
O
|
H:HOH325
|
4.3
|
38.2
|
1.0
|
|
CE1
|
H:HIS63
|
4.3
|
24.3
|
1.0
|
|
NE2
|
H:HIS46
|
4.3
|
31.4
|
1.0
|
|
O
|
H:VAL118
|
4.3
|
16.9
|
1.0
|
|
HG21
|
H:VAL118
|
4.4
|
27.5
|
1.0
|
|
O
|
H:HIS46
|
4.5
|
26.4
|
1.0
|
|
C
|
H:HIS46
|
4.6
|
27.3
|
1.0
|
|
HE1
|
H:HIS63
|
4.6
|
29.1
|
1.0
|
|
CG2
|
H:VAL118
|
4.7
|
22.9
|
1.0
|
|
CG
|
H:HIS63
|
4.7
|
21.2
|
1.0
|
|
HD1
|
H:HIS120
|
4.9
|
28.9
|
1.0
|
|
C
|
H:VAL118
|
4.9
|
22.3
|
1.0
|
|
HD1
|
H:HIS48
|
5.0
|
23.6
|
1.0
|
|
HG2
|
H:ARG143
|
5.0
|
22.5
|
1.0
|
|
HA
|
H:HIS46
|
5.0
|
21.7
|
1.0
|
|
HG13
|
H:VAL118
|
5.0
|
22.6
|
1.0
|
|
Copper binding site 9 out
of 10 in 4oh2
Go back to
Copper Binding Sites List in 4oh2
Copper binding site 9 out
of 10 in the Crystal Structure of Cu/Zn Superoxide Dismutase I149T
 Mono view
 Stereo pair view
|
|
A full contact list of Copper with other atoms in the Cu binding
site number 9 of Crystal Structure of Cu/Zn Superoxide Dismutase I149T within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Cu201
b:62.2
occ:1.00
|
HD1
|
I:HIS46
|
1.6
|
47.8
|
1.0
|
|
NE2
|
I:HIS120
|
1.8
|
47.0
|
1.0
|
|
NE2
|
I:HIS48
|
2.2
|
52.2
|
1.0
|
|
ND1
|
I:HIS46
|
2.5
|
39.8
|
1.0
|
|
HB2
|
I:HIS46
|
2.5
|
46.0
|
1.0
|
|
CD2
|
I:HIS120
|
2.7
|
43.5
|
1.0
|
|
CE1
|
I:HIS120
|
2.9
|
51.4
|
1.0
|
|
HD2
|
I:HIS120
|
2.9
|
52.2
|
1.0
|
|
HE2
|
I:HIS63
|
3.0
|
55.2
|
1.0
|
|
CE1
|
I:HIS48
|
3.1
|
40.8
|
1.0
|
|
HB
|
I:VAL118
|
3.1
|
52.5
|
1.0
|
|
HE1
|
I:HIS120
|
3.2
|
61.7
|
1.0
|
|
CD2
|
I:HIS48
|
3.2
|
41.3
|
1.0
|
|
CG
|
I:HIS46
|
3.2
|
35.0
|
1.0
|
|
HE1
|
I:HIS48
|
3.2
|
48.9
|
1.0
|
|
CB
|
I:HIS46
|
3.2
|
38.4
|
1.0
|
|
NE2
|
I:HIS63
|
3.3
|
46.0
|
1.0
|
|
HD2
|
I:HIS48
|
3.4
|
49.6
|
1.0
|
|
HD2
|
I:HIS63
|
3.5
|
55.3
|
1.0
|
|
CE1
|
I:HIS46
|
3.6
|
41.8
|
1.0
|
|
CD2
|
I:HIS63
|
3.7
|
46.1
|
1.0
|
|
HE1
|
I:HIS46
|
3.8
|
50.2
|
1.0
|
|
HG11
|
I:VAL118
|
3.9
|
46.4
|
1.0
|
|
H
|
I:HIS46
|
3.9
|
52.2
|
1.0
|
|
HB3
|
I:HIS46
|
3.9
|
46.0
|
1.0
|
|
CG
|
I:HIS120
|
3.9
|
43.8
|
1.0
|
|
ND1
|
I:HIS120
|
3.9
|
46.5
|
1.0
|
|
CB
|
I:VAL118
|
4.0
|
43.8
|
1.0
|
|
HG12
|
I:VAL118
|
4.1
|
46.4
|
1.0
|
|
CG1
|
I:VAL118
|
4.2
|
38.7
|
1.0
|
|
ND1
|
I:HIS48
|
4.2
|
50.9
|
1.0
|
|
CA
|
I:HIS46
|
4.2
|
42.2
|
1.0
|
|
N
|
I:HIS46
|
4.2
|
43.5
|
1.0
|
|
CE1
|
I:HIS63
|
4.3
|
50.1
|
1.0
|
|
CG
|
I:HIS48
|
4.3
|
45.7
|
1.0
|
|
HG21
|
I:VAL118
|
4.4
|
46.6
|
1.0
|
|
CD2
|
I:HIS46
|
4.4
|
50.3
|
1.0
|
|
O
|
I:HIS46
|
4.5
|
33.9
|
1.0
|
|
O
|
I:VAL118
|
4.5
|
37.5
|
1.0
|
|
NE2
|
I:HIS46
|
4.6
|
55.5
|
1.0
|
|
C
|
I:HIS46
|
4.6
|
39.0
|
1.0
|
|
HE1
|
I:HIS63
|
4.6
|
60.1
|
1.0
|
|
CG2
|
I:VAL118
|
4.7
|
38.8
|
1.0
|
|
CG
|
I:HIS63
|
4.7
|
47.9
|
1.0
|
|
HD1
|
I:HIS120
|
4.7
|
55.8
|
1.0
|
|
HG2
|
I:ARG143
|
4.7
|
50.7
|
1.0
|
|
HG23
|
I:VAL118
|
4.8
|
46.6
|
1.0
|
|
C
|
I:VAL118
|
4.9
|
35.2
|
1.0
|
|
HD1
|
I:HIS48
|
5.0
|
61.1
|
1.0
|
|
ND1
|
I:HIS63
|
5.0
|
44.6
|
1.0
|
|
Copper binding site 10 out
of 10 in 4oh2
Go back to
Copper Binding Sites List in 4oh2
Copper binding site 10 out
of 10 in the Crystal Structure of Cu/Zn Superoxide Dismutase I149T
 Mono view
 Stereo pair view
|
|
A full contact list of Copper with other atoms in the Cu binding
site number 10 of Crystal Structure of Cu/Zn Superoxide Dismutase I149T within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Cu201
b:42.4
occ:1.00
|
NE2
|
J:HIS120
|
1.9
|
32.4
|
1.0
|
|
NE2
|
J:HIS48
|
2.1
|
34.8
|
1.0
|
|
ND1
|
J:HIS46
|
2.2
|
34.0
|
1.0
|
|
HB2
|
J:HIS46
|
2.6
|
34.6
|
1.0
|
|
HE2
|
J:HIS63
|
2.6
|
43.1
|
1.0
|
|
CE1
|
J:HIS120
|
2.9
|
31.7
|
1.0
|
|
CD2
|
J:HIS120
|
2.9
|
34.3
|
1.0
|
|
CE1
|
J:HIS48
|
3.0
|
25.4
|
1.0
|
|
CG
|
J:HIS46
|
3.0
|
23.7
|
1.0
|
|
NE2
|
J:HIS63
|
3.1
|
35.9
|
1.0
|
|
HE1
|
J:HIS120
|
3.1
|
38.0
|
1.0
|
|
CD2
|
J:HIS48
|
3.1
|
29.5
|
1.0
|
|
HE1
|
J:HIS48
|
3.1
|
30.5
|
1.0
|
|
HB
|
J:VAL118
|
3.1
|
32.0
|
1.0
|
|
HD2
|
J:HIS120
|
3.2
|
41.1
|
1.0
|
|
CE1
|
J:HIS46
|
3.2
|
30.2
|
1.0
|
|
CB
|
J:HIS46
|
3.2
|
28.8
|
1.0
|
|
HD2
|
J:HIS63
|
3.3
|
37.1
|
1.0
|
|
HD2
|
J:HIS48
|
3.3
|
35.4
|
1.0
|
|
CD2
|
J:HIS63
|
3.4
|
30.9
|
1.0
|
|
HE1
|
J:HIS46
|
3.5
|
36.2
|
1.0
|
|
HG11
|
J:VAL118
|
3.8
|
33.4
|
1.0
|
|
HB3
|
J:HIS46
|
3.9
|
34.6
|
1.0
|
|
H
|
J:HIS46
|
3.9
|
30.5
|
1.0
|
|
ND1
|
J:HIS120
|
4.0
|
25.5
|
1.0
|
|
CB
|
J:VAL118
|
4.0
|
26.7
|
1.0
|
|
HG12
|
J:VAL118
|
4.0
|
33.4
|
1.0
|
|
O
|
J:HOH313
|
4.0
|
37.8
|
1.0
|
|
CG
|
J:HIS120
|
4.0
|
24.8
|
1.0
|
|
CE1
|
J:HIS63
|
4.1
|
27.1
|
1.0
|
|
ND1
|
J:HIS48
|
4.1
|
28.2
|
1.0
|
|
CG1
|
J:VAL118
|
4.2
|
27.9
|
1.0
|
|
N
|
J:HIS46
|
4.2
|
25.4
|
1.0
|
|
CG
|
J:HIS48
|
4.2
|
26.5
|
1.0
|
|
CA
|
J:HIS46
|
4.2
|
30.8
|
1.0
|
|
CD2
|
J:HIS46
|
4.2
|
27.9
|
1.0
|
|
NE2
|
J:HIS46
|
4.3
|
31.8
|
1.0
|
|
HG21
|
J:VAL118
|
4.4
|
28.1
|
1.0
|
|
HE1
|
J:HIS63
|
4.5
|
32.6
|
1.0
|
|
O
|
J:VAL118
|
4.5
|
26.2
|
1.0
|
|
CG
|
J:HIS63
|
4.6
|
30.4
|
1.0
|
|
O
|
J:HIS46
|
4.6
|
25.3
|
1.0
|
|
C
|
J:HIS46
|
4.7
|
30.0
|
1.0
|
|
CG2
|
J:VAL118
|
4.7
|
23.4
|
1.0
|
|
HD1
|
J:HIS120
|
4.8
|
30.6
|
1.0
|
|
ND1
|
J:HIS63
|
4.9
|
33.2
|
1.0
|
|
HD1
|
J:HIS48
|
4.9
|
33.9
|
1.0
|
|
HG23
|
J:VAL118
|
5.0
|
28.1
|
1.0
|
|
C
|
J:VAL118
|
5.0
|
27.2
|
1.0
|
|
Reference:
G.E.Merz,
P.P.Borbat,
A.J.Pratt,
E.D.Getzoff,
J.H.Freed,
B.R.Crane.
Copper-Based Pulsed Dipolar Esr Spectroscopy As A Probe of Protein Conformation Linked to Disease States. Biophys.J. V. 107 1669 2014.
ISSN: ISSN 0006-3495
PubMed: 25296320
DOI: 10.1016/J.BPJ.2014.07.068
Page generated: Wed Jul 31 03:18:57 2024
|
