Iron in PDB 5aur: Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at N-Terminal Region
Protein crystallography data
The structure of Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at N-Terminal Region, PDB code: 5aur
was solved by
C.Ren,
S.Nagao,
M.Yamanaka,
H.Kamikubo,
H.Komori,
Y.Shomura,
Y.Higuchi,
S.Hirota,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.00 /
1.26
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
32.850,
42.898,
53.591,
86.73,
86.51,
89.83
|
R / Rfree (%)
|
18.1 /
22.9
|
Other elements in 5aur:
The structure of Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at N-Terminal Region also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at N-Terminal Region
(pdb code 5aur). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at N-Terminal Region, PDB code: 5aur:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 5aur
Go back to
Iron Binding Sites List in 5aur
Iron binding site 1 out
of 4 in the Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at N-Terminal Region
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at N-Terminal Region within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe101
b:12.4
occ:1.00
|
FE
|
A:HEC101
|
0.0
|
12.4
|
1.0
|
NA
|
A:HEC101
|
2.0
|
12.4
|
1.0
|
ND
|
A:HEC101
|
2.0
|
12.4
|
1.0
|
NB
|
A:HEC101
|
2.0
|
13.2
|
1.0
|
NC
|
A:HEC101
|
2.1
|
12.9
|
1.0
|
NE2
|
C:HIS14
|
2.1
|
11.7
|
1.0
|
SD
|
A:MET62
|
2.3
|
15.7
|
1.0
|
CE1
|
C:HIS14
|
2.9
|
12.8
|
1.0
|
C4A
|
A:HEC101
|
3.0
|
13.3
|
1.0
|
C4D
|
A:HEC101
|
3.0
|
12.7
|
1.0
|
C1B
|
A:HEC101
|
3.0
|
12.6
|
1.0
|
C4B
|
A:HEC101
|
3.0
|
11.8
|
1.0
|
C1D
|
A:HEC101
|
3.1
|
12.4
|
1.0
|
C1A
|
A:HEC101
|
3.1
|
12.9
|
1.0
|
C4C
|
A:HEC101
|
3.1
|
12.6
|
1.0
|
C1C
|
A:HEC101
|
3.1
|
12.6
|
1.0
|
CD2
|
C:HIS14
|
3.2
|
13.3
|
1.0
|
CHC
|
A:HEC101
|
3.4
|
13.1
|
1.0
|
CG
|
A:MET62
|
3.4
|
14.6
|
1.0
|
CHA
|
A:HEC101
|
3.4
|
15.1
|
1.0
|
CHB
|
A:HEC101
|
3.4
|
12.4
|
1.0
|
CHD
|
A:HEC101
|
3.4
|
11.4
|
1.0
|
CE
|
A:MET62
|
3.5
|
17.6
|
1.0
|
CB
|
A:MET62
|
4.1
|
14.0
|
1.0
|
ND1
|
C:HIS14
|
4.1
|
12.6
|
1.0
|
CG
|
C:HIS14
|
4.2
|
11.2
|
1.0
|
C3D
|
A:HEC101
|
4.2
|
13.2
|
1.0
|
C3A
|
A:HEC101
|
4.2
|
14.0
|
1.0
|
C3B
|
A:HEC101
|
4.3
|
12.2
|
1.0
|
C2B
|
A:HEC101
|
4.3
|
14.1
|
1.0
|
C2A
|
A:HEC101
|
4.3
|
12.9
|
1.0
|
C3C
|
A:HEC101
|
4.3
|
12.3
|
1.0
|
C2C
|
A:HEC101
|
4.3
|
13.0
|
1.0
|
C2D
|
A:HEC101
|
4.3
|
12.8
|
1.0
|
|
Iron binding site 2 out
of 4 in 5aur
Go back to
Iron Binding Sites List in 5aur
Iron binding site 2 out
of 4 in the Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at N-Terminal Region
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at N-Terminal Region within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe101
b:13.0
occ:1.00
|
FE
|
C:HEC101
|
0.0
|
13.0
|
1.0
|
NC
|
C:HEC101
|
2.0
|
12.7
|
1.0
|
NB
|
C:HEC101
|
2.0
|
13.3
|
1.0
|
ND
|
C:HEC101
|
2.0
|
12.1
|
1.0
|
NE2
|
A:HIS14
|
2.0
|
11.4
|
1.0
|
NA
|
C:HEC101
|
2.1
|
12.1
|
1.0
|
SD
|
C:MET62
|
2.3
|
14.2
|
1.0
|
CE1
|
A:HIS14
|
2.9
|
11.6
|
1.0
|
C4B
|
C:HEC101
|
3.0
|
12.7
|
1.0
|
C4C
|
C:HEC101
|
3.0
|
12.1
|
1.0
|
C1C
|
C:HEC101
|
3.0
|
13.6
|
1.0
|
C1D
|
C:HEC101
|
3.0
|
12.2
|
1.0
|
C4D
|
C:HEC101
|
3.0
|
12.1
|
1.0
|
C1B
|
C:HEC101
|
3.0
|
11.7
|
1.0
|
C1A
|
C:HEC101
|
3.1
|
12.3
|
1.0
|
C4A
|
C:HEC101
|
3.1
|
11.4
|
1.0
|
CD2
|
A:HIS14
|
3.1
|
12.3
|
1.0
|
CHC
|
C:HEC101
|
3.4
|
12.1
|
1.0
|
CHD
|
C:HEC101
|
3.4
|
12.0
|
1.0
|
CHA
|
C:HEC101
|
3.4
|
11.7
|
1.0
|
CG
|
C:MET62
|
3.4
|
12.9
|
1.0
|
CHB
|
C:HEC101
|
3.4
|
11.4
|
1.0
|
CE
|
C:MET62
|
3.5
|
14.6
|
1.0
|
ND1
|
A:HIS14
|
4.1
|
13.5
|
1.0
|
CB
|
C:MET62
|
4.1
|
13.6
|
1.0
|
CG
|
A:HIS14
|
4.2
|
15.1
|
1.0
|
C3C
|
C:HEC101
|
4.2
|
13.5
|
1.0
|
C3B
|
C:HEC101
|
4.2
|
13.3
|
1.0
|
C2D
|
C:HEC101
|
4.2
|
13.4
|
1.0
|
C2B
|
C:HEC101
|
4.2
|
12.9
|
1.0
|
C2C
|
C:HEC101
|
4.2
|
14.6
|
1.0
|
C3D
|
C:HEC101
|
4.3
|
13.9
|
1.0
|
C3A
|
C:HEC101
|
4.3
|
12.3
|
1.0
|
C2A
|
C:HEC101
|
4.3
|
12.2
|
1.0
|
|
Iron binding site 3 out
of 4 in 5aur
Go back to
Iron Binding Sites List in 5aur
Iron binding site 3 out
of 4 in the Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at N-Terminal Region
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at N-Terminal Region within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe101
b:15.7
occ:1.00
|
FE
|
E:HEC101
|
0.0
|
15.7
|
1.0
|
NA
|
E:HEC101
|
2.0
|
14.9
|
1.0
|
ND
|
E:HEC101
|
2.0
|
15.1
|
1.0
|
NB
|
E:HEC101
|
2.0
|
14.3
|
1.0
|
NC
|
E:HEC101
|
2.1
|
14.8
|
1.0
|
NE2
|
G:HIS14
|
2.1
|
14.5
|
1.0
|
SD
|
E:MET62
|
2.3
|
18.2
|
1.0
|
CE1
|
G:HIS14
|
2.9
|
17.1
|
1.0
|
C4A
|
E:HEC101
|
3.0
|
14.6
|
1.0
|
C1A
|
E:HEC101
|
3.0
|
16.9
|
1.0
|
C1D
|
E:HEC101
|
3.1
|
14.2
|
1.0
|
C4B
|
E:HEC101
|
3.1
|
14.2
|
1.0
|
C4C
|
E:HEC101
|
3.1
|
13.7
|
1.0
|
C4D
|
E:HEC101
|
3.1
|
17.5
|
1.0
|
C1B
|
E:HEC101
|
3.1
|
15.6
|
1.0
|
C1C
|
E:HEC101
|
3.1
|
15.0
|
1.0
|
CD2
|
G:HIS14
|
3.2
|
15.6
|
1.0
|
CHD
|
E:HEC101
|
3.4
|
14.1
|
1.0
|
CHB
|
E:HEC101
|
3.4
|
20.5
|
1.0
|
CHA
|
E:HEC101
|
3.4
|
17.9
|
1.0
|
CHC
|
E:HEC101
|
3.4
|
14.7
|
1.0
|
CG
|
E:MET62
|
3.4
|
15.5
|
1.0
|
CE
|
E:MET62
|
3.6
|
21.9
|
1.0
|
ND1
|
G:HIS14
|
4.1
|
16.0
|
1.0
|
CB
|
E:MET62
|
4.1
|
19.1
|
1.0
|
C3A
|
E:HEC101
|
4.2
|
17.5
|
1.0
|
CG
|
G:HIS14
|
4.2
|
14.8
|
1.0
|
C2A
|
E:HEC101
|
4.3
|
17.5
|
1.0
|
C3B
|
E:HEC101
|
4.3
|
14.8
|
1.0
|
C2D
|
E:HEC101
|
4.3
|
16.5
|
1.0
|
C2B
|
E:HEC101
|
4.3
|
16.2
|
1.0
|
C3D
|
E:HEC101
|
4.3
|
18.3
|
1.0
|
C2C
|
E:HEC101
|
4.3
|
14.2
|
1.0
|
C3C
|
E:HEC101
|
4.3
|
13.1
|
1.0
|
|
Iron binding site 4 out
of 4 in 5aur
Go back to
Iron Binding Sites List in 5aur
Iron binding site 4 out
of 4 in the Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at N-Terminal Region
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at N-Terminal Region within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe101
b:11.9
occ:1.00
|
FE
|
G:HEC101
|
0.0
|
11.9
|
1.0
|
ND
|
G:HEC101
|
2.0
|
12.1
|
1.0
|
NB
|
G:HEC101
|
2.0
|
12.3
|
1.0
|
NC
|
G:HEC101
|
2.0
|
11.7
|
1.0
|
NE2
|
E:HIS14
|
2.1
|
11.5
|
1.0
|
NA
|
G:HEC101
|
2.1
|
12.1
|
1.0
|
SD
|
G:MET62
|
2.3
|
11.7
|
0.5
|
SD
|
G:MET62
|
2.4
|
15.4
|
0.5
|
CE1
|
E:HIS14
|
3.0
|
11.7
|
1.0
|
C4C
|
G:HEC101
|
3.0
|
12.6
|
1.0
|
C1D
|
G:HEC101
|
3.0
|
12.2
|
1.0
|
C1B
|
G:HEC101
|
3.0
|
11.2
|
1.0
|
C4D
|
G:HEC101
|
3.0
|
10.2
|
1.0
|
C4B
|
G:HEC101
|
3.1
|
11.6
|
1.0
|
C4A
|
G:HEC101
|
3.1
|
11.5
|
1.0
|
C1C
|
G:HEC101
|
3.1
|
12.3
|
1.0
|
C1A
|
G:HEC101
|
3.1
|
10.8
|
1.0
|
CD2
|
E:HIS14
|
3.1
|
13.5
|
1.0
|
CHD
|
G:HEC101
|
3.4
|
11.3
|
1.0
|
CE
|
G:MET62
|
3.4
|
14.2
|
0.5
|
CG
|
G:MET62
|
3.4
|
16.6
|
0.5
|
CHB
|
G:HEC101
|
3.4
|
11.3
|
1.0
|
CG
|
G:MET62
|
3.4
|
11.5
|
0.5
|
CHC
|
G:HEC101
|
3.4
|
13.1
|
1.0
|
CHA
|
G:HEC101
|
3.4
|
10.7
|
1.0
|
CE
|
G:MET62
|
3.5
|
9.3
|
0.5
|
CB
|
G:MET62
|
4.1
|
12.1
|
0.5
|
ND1
|
E:HIS14
|
4.1
|
12.4
|
1.0
|
CB
|
G:MET62
|
4.2
|
18.7
|
0.5
|
C3D
|
G:HEC101
|
4.2
|
11.4
|
1.0
|
CG
|
E:HIS14
|
4.2
|
13.9
|
1.0
|
C3C
|
G:HEC101
|
4.2
|
12.8
|
1.0
|
C3B
|
G:HEC101
|
4.2
|
11.2
|
1.0
|
C2C
|
G:HEC101
|
4.3
|
13.0
|
1.0
|
C2B
|
G:HEC101
|
4.3
|
11.8
|
1.0
|
C2D
|
G:HEC101
|
4.3
|
12.2
|
1.0
|
C2A
|
G:HEC101
|
4.3
|
11.9
|
1.0
|
C3A
|
G:HEC101
|
4.3
|
13.4
|
1.0
|
|
Reference:
C.Ren,
S.Nagao,
M.Yamanaka,
H.Komori,
Y.Shomura,
Y.Higuchi,
S.Hirota.
Oligomerization Enhancement and Two Domain Swapping Mode Detection For Thermostable Cytochrome C552VIA the Elongation of the Major Hinge Loop. Mol Biosyst V. 11 3218 2015.
ISSN: ESSN 1742-2051
PubMed: 26451671
DOI: 10.1039/C5MB00545K
Page generated: Mon Aug 5 19:42:55 2024
|