Manganese in PDB 6cyl: Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei
Enzymatic activity of Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei
All present enzymatic activity of Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei:
1.15.1.1;
Protein crystallography data
The structure of Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei, PDB code: 6cyl
was solved by
E.Mendoza Rengifo,
R.C.Garratt,
H.M.Pereira,
J.R.S.Ferreira Jr.,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
79.14 /
1.80
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
62.571,
78.433,
158.283,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
24.2 /
26.1
|
Manganese Binding Sites:
The binding sites of Manganese atom in the Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei
(pdb code 6cyl). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the
Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei, PDB code: 6cyl:
Jump to Manganese binding site number:
1;
2;
3;
4;
Manganese binding site 1 out
of 4 in 6cyl
Go back to
Manganese Binding Sites List in 6cyl
Manganese binding site 1 out
of 4 in the Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn301
b:8.1
occ:1.00
|
O
|
A:HOH449
|
1.9
|
8.6
|
1.0
|
OD2
|
A:ASP163
|
2.0
|
7.6
|
1.0
|
NE2
|
A:HIS167
|
2.1
|
9.3
|
1.0
|
NE2
|
A:HIS30
|
2.1
|
10.0
|
1.0
|
NE2
|
A:HIS78
|
2.2
|
6.1
|
1.0
|
CE1
|
A:HIS167
|
3.0
|
8.9
|
1.0
|
CE1
|
A:HIS30
|
3.1
|
9.7
|
1.0
|
CE1
|
A:HIS78
|
3.1
|
4.4
|
1.0
|
CG
|
A:ASP163
|
3.1
|
7.8
|
1.0
|
CD2
|
A:HIS30
|
3.2
|
10.0
|
1.0
|
CD2
|
A:HIS167
|
3.2
|
9.1
|
1.0
|
CD2
|
A:HIS78
|
3.3
|
6.8
|
1.0
|
OD1
|
A:ASP163
|
3.7
|
7.5
|
1.0
|
ND1
|
A:HIS167
|
4.2
|
5.1
|
1.0
|
ND1
|
A:HIS30
|
4.2
|
9.2
|
1.0
|
ND1
|
A:HIS78
|
4.3
|
5.6
|
1.0
|
CG
|
A:HIS30
|
4.3
|
9.6
|
1.0
|
CG
|
A:HIS167
|
4.3
|
7.7
|
1.0
|
CZ2
|
A:TRP131
|
4.3
|
6.1
|
1.0
|
CB
|
A:ASP163
|
4.3
|
9.9
|
1.0
|
CG
|
A:HIS78
|
4.4
|
7.2
|
1.0
|
CB
|
A:TRP165
|
4.4
|
6.6
|
1.0
|
CG
|
A:TRP165
|
4.5
|
8.3
|
1.0
|
OH
|
A:TYR38
|
4.5
|
17.3
|
1.0
|
NE2
|
A:GLN74
|
4.6
|
8.3
|
1.0
|
CD1
|
A:TRP165
|
4.8
|
5.5
|
1.0
|
CE2
|
A:TYR38
|
4.9
|
9.3
|
1.0
|
CE2
|
A:TRP131
|
5.0
|
5.0
|
1.0
|
|
Manganese binding site 2 out
of 4 in 6cyl
Go back to
Manganese Binding Sites List in 6cyl
Manganese binding site 2 out
of 4 in the Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn301
b:8.6
occ:1.00
|
OD2
|
B:ASP163
|
2.0
|
11.8
|
1.0
|
NE2
|
B:HIS78
|
2.1
|
11.4
|
1.0
|
O
|
B:HOH469
|
2.1
|
6.7
|
1.0
|
NE2
|
B:HIS30
|
2.1
|
7.0
|
1.0
|
NE2
|
B:HIS167
|
2.2
|
9.9
|
1.0
|
CE1
|
B:HIS78
|
3.0
|
10.9
|
1.0
|
CE1
|
B:HIS30
|
3.0
|
7.0
|
1.0
|
CG
|
B:ASP163
|
3.1
|
9.9
|
1.0
|
CE1
|
B:HIS167
|
3.1
|
8.6
|
1.0
|
CD2
|
B:HIS30
|
3.2
|
8.6
|
1.0
|
CD2
|
B:HIS78
|
3.2
|
10.9
|
1.0
|
CD2
|
B:HIS167
|
3.2
|
7.7
|
1.0
|
OD1
|
B:ASP163
|
3.6
|
11.2
|
1.0
|
ND1
|
B:HIS78
|
4.2
|
10.9
|
1.0
|
ND1
|
B:HIS30
|
4.2
|
7.6
|
1.0
|
ND1
|
B:HIS167
|
4.2
|
9.5
|
1.0
|
CG
|
B:HIS78
|
4.3
|
11.9
|
1.0
|
CG
|
B:HIS30
|
4.3
|
9.9
|
1.0
|
CB
|
B:ASP163
|
4.3
|
7.4
|
1.0
|
CG
|
B:HIS167
|
4.3
|
8.6
|
1.0
|
CZ2
|
B:TRP131
|
4.3
|
12.0
|
1.0
|
CB
|
B:TRP165
|
4.4
|
5.3
|
1.0
|
OH
|
B:TYR38
|
4.4
|
23.5
|
1.0
|
CG
|
B:TRP165
|
4.6
|
6.7
|
1.0
|
NE2
|
B:GLN74
|
4.6
|
6.4
|
1.0
|
CD1
|
B:TRP165
|
4.9
|
7.1
|
1.0
|
CE2
|
B:TYR38
|
5.0
|
16.9
|
1.0
|
CH2
|
B:TRP131
|
5.0
|
9.6
|
1.0
|
|
Manganese binding site 3 out
of 4 in 6cyl
Go back to
Manganese Binding Sites List in 6cyl
Manganese binding site 3 out
of 4 in the Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn301
b:8.9
occ:1.00
|
OD2
|
C:ASP163
|
2.0
|
12.2
|
1.0
|
O
|
C:HOH453
|
2.1
|
7.8
|
1.0
|
NE2
|
C:HIS30
|
2.1
|
11.2
|
1.0
|
NE2
|
C:HIS78
|
2.2
|
16.2
|
1.0
|
NE2
|
C:HIS167
|
2.3
|
11.2
|
1.0
|
O
|
C:HOH454
|
2.5
|
23.0
|
1.0
|
CE1
|
C:HIS30
|
3.0
|
8.8
|
1.0
|
CE1
|
C:HIS78
|
3.1
|
13.7
|
1.0
|
CD2
|
C:HIS30
|
3.1
|
11.9
|
1.0
|
CG
|
C:ASP163
|
3.1
|
9.6
|
1.0
|
CD2
|
C:HIS78
|
3.2
|
15.2
|
1.0
|
CE1
|
C:HIS167
|
3.2
|
10.4
|
1.0
|
CD2
|
C:HIS167
|
3.3
|
10.8
|
1.0
|
OD1
|
C:ASP163
|
3.7
|
8.5
|
1.0
|
ND1
|
C:HIS30
|
4.1
|
12.1
|
1.0
|
ND1
|
C:HIS78
|
4.2
|
15.3
|
1.0
|
CZ2
|
C:TRP131
|
4.2
|
9.3
|
1.0
|
CG
|
C:HIS30
|
4.2
|
12.8
|
1.0
|
CG
|
C:HIS78
|
4.3
|
15.8
|
1.0
|
CB
|
C:ASP163
|
4.3
|
9.3
|
1.0
|
ND1
|
C:HIS167
|
4.4
|
9.9
|
1.0
|
CG
|
C:HIS167
|
4.4
|
9.3
|
1.0
|
CB
|
C:TRP165
|
4.5
|
7.7
|
1.0
|
NE2
|
C:GLN74
|
4.6
|
7.8
|
1.0
|
CG
|
C:TRP165
|
4.7
|
7.3
|
1.0
|
CH2
|
C:TRP131
|
4.8
|
9.0
|
1.0
|
CD1
|
C:TRP165
|
4.9
|
7.5
|
1.0
|
OH
|
C:TYR38
|
4.9
|
26.1
|
1.0
|
CE2
|
C:TRP131
|
5.0
|
8.3
|
1.0
|
|
Manganese binding site 4 out
of 4 in 6cyl
Go back to
Manganese Binding Sites List in 6cyl
Manganese binding site 4 out
of 4 in the Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Crystal Structure of Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn301
b:11.1
occ:1.00
|
OD2
|
D:ASP163
|
1.8
|
18.5
|
1.0
|
O
|
D:HOH454
|
2.1
|
10.0
|
1.0
|
NE2
|
D:HIS30
|
2.2
|
18.6
|
1.0
|
NE2
|
D:HIS78
|
2.2
|
16.2
|
1.0
|
NE2
|
D:HIS167
|
2.3
|
14.6
|
1.0
|
CG
|
D:ASP163
|
3.0
|
12.3
|
1.0
|
CE1
|
D:HIS78
|
3.1
|
15.4
|
1.0
|
CE1
|
D:HIS30
|
3.1
|
18.2
|
1.0
|
CD2
|
D:HIS30
|
3.2
|
19.7
|
1.0
|
CE1
|
D:HIS167
|
3.2
|
11.4
|
1.0
|
CD2
|
D:HIS78
|
3.2
|
16.8
|
1.0
|
CD2
|
D:HIS167
|
3.3
|
11.7
|
1.0
|
OD1
|
D:ASP163
|
3.6
|
17.4
|
1.0
|
CZ2
|
D:TRP131
|
4.0
|
15.0
|
1.0
|
CB
|
D:ASP163
|
4.2
|
12.8
|
1.0
|
ND1
|
D:HIS78
|
4.2
|
16.7
|
1.0
|
ND1
|
D:HIS30
|
4.2
|
19.5
|
1.0
|
CG
|
D:HIS30
|
4.3
|
18.5
|
1.0
|
CG
|
D:HIS78
|
4.3
|
17.5
|
1.0
|
ND1
|
D:HIS167
|
4.4
|
12.1
|
1.0
|
CB
|
D:TRP165
|
4.4
|
11.4
|
1.0
|
CG
|
D:HIS167
|
4.4
|
12.2
|
1.0
|
CG
|
D:TRP165
|
4.6
|
11.2
|
1.0
|
CH2
|
D:TRP131
|
4.6
|
17.9
|
1.0
|
NE2
|
D:GLN74
|
4.6
|
16.2
|
1.0
|
CE2
|
D:TRP131
|
4.7
|
14.5
|
1.0
|
CD1
|
D:TRP165
|
4.8
|
12.1
|
1.0
|
CE2
|
D:TYR38
|
4.9
|
20.2
|
1.0
|
NE1
|
D:TRP131
|
4.9
|
13.8
|
1.0
|
|
Reference:
E.Mendoza Rengifo,
R.C.Garratt,
H.M.Pereira,
J.R.S.Ferreira Jr..
Crystal Structure of Mn Superoxide Dismutase Double Mutant (G74Q+Q149G) From Trichoderma Reesei To Be Published.
Page generated: Sun Oct 6 04:01:13 2024
|