Iron in PDB 1mg3: Mutation of Alpha PHE55 of Methylamine Dehydrogenase Alters the Reorganization Energy and Electronic Coupling For Its Electron Transfer Reaction with Amicyanin
Enzymatic activity of Mutation of Alpha PHE55 of Methylamine Dehydrogenase Alters the Reorganization Energy and Electronic Coupling For Its Electron Transfer Reaction with Amicyanin
All present enzymatic activity of Mutation of Alpha PHE55 of Methylamine Dehydrogenase Alters the Reorganization Energy and Electronic Coupling For Its Electron Transfer Reaction with Amicyanin:
1.4.99.3;
Protein crystallography data
The structure of Mutation of Alpha PHE55 of Methylamine Dehydrogenase Alters the Reorganization Energy and Electronic Coupling For Its Electron Transfer Reaction with Amicyanin, PDB code: 1mg3
was solved by
D.Sun,
Z.W.Chen,
F.S.Mathews,
V.L.Davidson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.00 /
2.40
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
79.520,
188.372,
127.366,
90.00,
98.84,
90.00
|
R / Rfree (%)
|
19.3 /
24.6
|
Other elements in 1mg3:
The structure of Mutation of Alpha PHE55 of Methylamine Dehydrogenase Alters the Reorganization Energy and Electronic Coupling For Its Electron Transfer Reaction with Amicyanin also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Mutation of Alpha PHE55 of Methylamine Dehydrogenase Alters the Reorganization Energy and Electronic Coupling For Its Electron Transfer Reaction with Amicyanin
(pdb code 1mg3). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Mutation of Alpha PHE55 of Methylamine Dehydrogenase Alters the Reorganization Energy and Electronic Coupling For Its Electron Transfer Reaction with Amicyanin, PDB code: 1mg3:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 1mg3
Go back to
Iron Binding Sites List in 1mg3
Iron binding site 1 out
of 4 in the Mutation of Alpha PHE55 of Methylamine Dehydrogenase Alters the Reorganization Energy and Electronic Coupling For Its Electron Transfer Reaction with Amicyanin
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Mutation of Alpha PHE55 of Methylamine Dehydrogenase Alters the Reorganization Energy and Electronic Coupling For Its Electron Transfer Reaction with Amicyanin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe200
b:37.0
occ:1.00
|
FE
|
D:HEM200
|
0.0
|
37.0
|
1.0
|
ND
|
D:HEM200
|
2.0
|
38.1
|
1.0
|
NC
|
D:HEM200
|
2.0
|
36.1
|
1.0
|
NB
|
D:HEM200
|
2.0
|
37.4
|
1.0
|
NA
|
D:HEM200
|
2.0
|
36.1
|
1.0
|
NE2
|
D:HIS61
|
2.1
|
43.1
|
1.0
|
SD
|
D:MET101
|
2.4
|
60.2
|
1.0
|
C4D
|
D:HEM200
|
3.0
|
40.0
|
1.0
|
C1D
|
D:HEM200
|
3.0
|
39.8
|
1.0
|
C1C
|
D:HEM200
|
3.0
|
41.6
|
1.0
|
C1A
|
D:HEM200
|
3.0
|
35.6
|
1.0
|
C1B
|
D:HEM200
|
3.0
|
37.3
|
1.0
|
C4C
|
D:HEM200
|
3.1
|
36.4
|
1.0
|
C4A
|
D:HEM200
|
3.1
|
35.3
|
1.0
|
C4B
|
D:HEM200
|
3.1
|
39.5
|
1.0
|
CE1
|
D:HIS61
|
3.1
|
41.3
|
1.0
|
CD2
|
D:HIS61
|
3.2
|
41.1
|
1.0
|
CHA
|
D:HEM200
|
3.4
|
37.0
|
1.0
|
CHD
|
D:HEM200
|
3.4
|
36.8
|
1.0
|
CHB
|
D:HEM200
|
3.4
|
35.8
|
1.0
|
CHC
|
D:HEM200
|
3.4
|
41.9
|
1.0
|
CE
|
D:MET101
|
3.7
|
50.3
|
1.0
|
CG
|
D:MET101
|
3.8
|
61.9
|
1.0
|
CG
|
D:HIS61
|
4.2
|
39.9
|
1.0
|
C3D
|
D:HEM200
|
4.2
|
40.5
|
1.0
|
C2D
|
D:HEM200
|
4.3
|
42.6
|
1.0
|
C2A
|
D:HEM200
|
4.3
|
36.6
|
1.0
|
C3A
|
D:HEM200
|
4.3
|
34.5
|
1.0
|
C3B
|
D:HEM200
|
4.3
|
35.2
|
1.0
|
C2C
|
D:HEM200
|
4.3
|
42.3
|
1.0
|
C3C
|
D:HEM200
|
4.3
|
38.7
|
1.0
|
C2B
|
D:HEM200
|
4.3
|
37.4
|
1.0
|
ND1
|
D:HIS61
|
4.3
|
41.2
|
1.0
|
CB
|
D:MET101
|
4.5
|
69.0
|
1.0
|
|
Iron binding site 2 out
of 4 in 1mg3
Go back to
Iron Binding Sites List in 1mg3
Iron binding site 2 out
of 4 in the Mutation of Alpha PHE55 of Methylamine Dehydrogenase Alters the Reorganization Energy and Electronic Coupling For Its Electron Transfer Reaction with Amicyanin
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Mutation of Alpha PHE55 of Methylamine Dehydrogenase Alters the Reorganization Energy and Electronic Coupling For Its Electron Transfer Reaction with Amicyanin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe200
b:22.8
occ:1.00
|
FE
|
H:HEM200
|
0.0
|
22.8
|
1.0
|
ND
|
H:HEM200
|
2.0
|
29.7
|
1.0
|
NE2
|
H:HIS61
|
2.0
|
19.9
|
1.0
|
NC
|
H:HEM200
|
2.0
|
30.1
|
1.0
|
NB
|
H:HEM200
|
2.0
|
27.0
|
1.0
|
NA
|
H:HEM200
|
2.0
|
27.6
|
1.0
|
SD
|
H:MET101
|
2.2
|
36.0
|
1.0
|
C4D
|
H:HEM200
|
3.0
|
29.2
|
1.0
|
CD2
|
H:HIS61
|
3.0
|
26.1
|
1.0
|
C1A
|
H:HEM200
|
3.0
|
30.6
|
1.0
|
C1B
|
H:HEM200
|
3.0
|
29.0
|
1.0
|
CE1
|
H:HIS61
|
3.0
|
26.8
|
1.0
|
C1D
|
H:HEM200
|
3.0
|
30.0
|
1.0
|
C1C
|
H:HEM200
|
3.0
|
31.5
|
1.0
|
C4A
|
H:HEM200
|
3.1
|
25.5
|
1.0
|
C4C
|
H:HEM200
|
3.1
|
26.5
|
1.0
|
C4B
|
H:HEM200
|
3.1
|
29.6
|
1.0
|
CE
|
H:MET101
|
3.3
|
31.8
|
1.0
|
CHA
|
H:HEM200
|
3.4
|
27.9
|
1.0
|
CHB
|
H:HEM200
|
3.4
|
29.4
|
1.0
|
CHD
|
H:HEM200
|
3.4
|
28.3
|
1.0
|
CHC
|
H:HEM200
|
3.4
|
31.0
|
1.0
|
CG
|
H:MET101
|
3.5
|
30.8
|
1.0
|
CG
|
H:HIS61
|
4.1
|
27.9
|
1.0
|
CB
|
H:MET101
|
4.1
|
31.3
|
1.0
|
ND1
|
H:HIS61
|
4.2
|
28.6
|
1.0
|
C3A
|
H:HEM200
|
4.3
|
29.9
|
1.0
|
C2A
|
H:HEM200
|
4.3
|
28.5
|
1.0
|
C3D
|
H:HEM200
|
4.3
|
30.2
|
1.0
|
C2D
|
H:HEM200
|
4.3
|
29.5
|
1.0
|
C3B
|
H:HEM200
|
4.3
|
28.7
|
1.0
|
C2B
|
H:HEM200
|
4.3
|
31.0
|
1.0
|
C3C
|
H:HEM200
|
4.3
|
29.2
|
1.0
|
C2C
|
H:HEM200
|
4.3
|
32.3
|
1.0
|
CA
|
H:MET101
|
4.8
|
30.9
|
1.0
|
|
Iron binding site 3 out
of 4 in 1mg3
Go back to
Iron Binding Sites List in 1mg3
Iron binding site 3 out
of 4 in the Mutation of Alpha PHE55 of Methylamine Dehydrogenase Alters the Reorganization Energy and Electronic Coupling For Its Electron Transfer Reaction with Amicyanin
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Mutation of Alpha PHE55 of Methylamine Dehydrogenase Alters the Reorganization Energy and Electronic Coupling For Its Electron Transfer Reaction with Amicyanin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Fe200
b:23.6
occ:1.00
|
FE
|
L:HEM200
|
0.0
|
23.6
|
1.0
|
ND
|
L:HEM200
|
2.0
|
33.0
|
1.0
|
NB
|
L:HEM200
|
2.0
|
24.1
|
1.0
|
NC
|
L:HEM200
|
2.0
|
29.1
|
1.0
|
NA
|
L:HEM200
|
2.0
|
28.3
|
1.0
|
NE2
|
L:HIS61
|
2.0
|
16.6
|
1.0
|
SD
|
L:MET101
|
2.2
|
27.8
|
1.0
|
C1B
|
L:HEM200
|
3.0
|
29.1
|
1.0
|
CE1
|
L:HIS61
|
3.0
|
18.8
|
1.0
|
C1C
|
L:HEM200
|
3.0
|
29.6
|
1.0
|
C4D
|
L:HEM200
|
3.0
|
33.1
|
1.0
|
C4B
|
L:HEM200
|
3.0
|
28.2
|
1.0
|
C1D
|
L:HEM200
|
3.0
|
32.3
|
1.0
|
C1A
|
L:HEM200
|
3.1
|
30.0
|
1.0
|
C4A
|
L:HEM200
|
3.1
|
27.8
|
1.0
|
C4C
|
L:HEM200
|
3.1
|
28.7
|
1.0
|
CD2
|
L:HIS61
|
3.2
|
16.8
|
1.0
|
CHB
|
L:HEM200
|
3.4
|
28.6
|
1.0
|
CHA
|
L:HEM200
|
3.4
|
29.2
|
1.0
|
CHC
|
L:HEM200
|
3.4
|
30.8
|
1.0
|
CHD
|
L:HEM200
|
3.4
|
31.2
|
1.0
|
CE
|
L:MET101
|
3.5
|
19.1
|
1.0
|
CG
|
L:MET101
|
3.6
|
22.9
|
1.0
|
CG
|
L:HIS61
|
4.2
|
15.2
|
1.0
|
CB
|
L:MET101
|
4.2
|
31.2
|
1.0
|
ND1
|
L:HIS61
|
4.2
|
15.6
|
1.0
|
C3B
|
L:HEM200
|
4.2
|
24.3
|
1.0
|
C2B
|
L:HEM200
|
4.3
|
29.4
|
1.0
|
C3D
|
L:HEM200
|
4.3
|
28.9
|
1.0
|
C2D
|
L:HEM200
|
4.3
|
29.3
|
1.0
|
C3A
|
L:HEM200
|
4.3
|
30.8
|
1.0
|
C2C
|
L:HEM200
|
4.3
|
26.7
|
1.0
|
C2A
|
L:HEM200
|
4.3
|
28.5
|
1.0
|
C3C
|
L:HEM200
|
4.3
|
28.6
|
1.0
|
CA
|
L:MET101
|
4.8
|
34.4
|
1.0
|
|
Iron binding site 4 out
of 4 in 1mg3
Go back to
Iron Binding Sites List in 1mg3
Iron binding site 4 out
of 4 in the Mutation of Alpha PHE55 of Methylamine Dehydrogenase Alters the Reorganization Energy and Electronic Coupling For Its Electron Transfer Reaction with Amicyanin
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Mutation of Alpha PHE55 of Methylamine Dehydrogenase Alters the Reorganization Energy and Electronic Coupling For Its Electron Transfer Reaction with Amicyanin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
P:Fe200
b:19.3
occ:1.00
|
FE
|
P:HEM200
|
0.0
|
19.3
|
1.0
|
ND
|
P:HEM200
|
2.0
|
26.3
|
1.0
|
NE2
|
P:HIS61
|
2.0
|
14.6
|
1.0
|
NC
|
P:HEM200
|
2.0
|
27.8
|
1.0
|
NB
|
P:HEM200
|
2.0
|
20.8
|
1.0
|
NA
|
P:HEM200
|
2.0
|
19.3
|
1.0
|
SD
|
P:MET101
|
2.2
|
25.8
|
1.0
|
CE1
|
P:HIS61
|
3.0
|
22.3
|
1.0
|
C4D
|
P:HEM200
|
3.0
|
25.8
|
1.0
|
C1C
|
P:HEM200
|
3.0
|
27.2
|
1.0
|
C1B
|
P:HEM200
|
3.0
|
17.2
|
1.0
|
C1D
|
P:HEM200
|
3.0
|
28.0
|
1.0
|
C4C
|
P:HEM200
|
3.1
|
28.4
|
1.0
|
C1A
|
P:HEM200
|
3.1
|
19.3
|
1.0
|
C4B
|
P:HEM200
|
3.1
|
24.8
|
1.0
|
CD2
|
P:HIS61
|
3.1
|
18.3
|
1.0
|
C4A
|
P:HEM200
|
3.1
|
17.7
|
1.0
|
CE
|
P:MET101
|
3.3
|
21.0
|
1.0
|
CHA
|
P:HEM200
|
3.4
|
22.2
|
1.0
|
CHB
|
P:HEM200
|
3.4
|
21.9
|
1.0
|
CHD
|
P:HEM200
|
3.4
|
27.1
|
1.0
|
CHC
|
P:HEM200
|
3.4
|
25.2
|
1.0
|
CG
|
P:MET101
|
3.6
|
22.6
|
1.0
|
CG
|
P:HIS61
|
4.1
|
23.1
|
1.0
|
ND1
|
P:HIS61
|
4.2
|
20.7
|
1.0
|
C3D
|
P:HEM200
|
4.3
|
22.1
|
1.0
|
C3B
|
P:HEM200
|
4.3
|
17.5
|
1.0
|
C2D
|
P:HEM200
|
4.3
|
25.1
|
1.0
|
C2B
|
P:HEM200
|
4.3
|
19.7
|
1.0
|
C3C
|
P:HEM200
|
4.3
|
28.6
|
1.0
|
C2C
|
P:HEM200
|
4.3
|
28.2
|
1.0
|
C2A
|
P:HEM200
|
4.3
|
21.2
|
1.0
|
C3A
|
P:HEM200
|
4.3
|
24.2
|
1.0
|
CB
|
P:MET101
|
4.4
|
23.9
|
1.0
|
|
Reference:
D.Sun,
Z.W.Chen,
F.S.Mathews,
V.L.Davidson.
Mutation of Alpha PHE55 of Methylamine Dehydrogenase Alters the Reorganization Energy and Electronic Coupling For Its Electron Transfer Reaction with Amicyanin Biochemistry V. 41 13926 2002.
ISSN: ISSN 0006-2960
PubMed: 12437349
DOI: 10.1021/BI026654X
Page generated: Sat Aug 3 10:40:55 2024
|