Iron in PDB 5cx7: Crystal Structure of Pduoc:Heme Complex
Protein crystallography data
The structure of Crystal Structure of Pduoc:Heme Complex, PDB code: 5cx7
was solved by
S.Geremia,
N.Hickey,
D.Ortiz De Orue Lucana,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
33.07 /
1.97
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
71.300,
130.120,
120.750,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
15.8 /
18.6
|
Other elements in 5cx7:
The structure of Crystal Structure of Pduoc:Heme Complex also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of Pduoc:Heme Complex
(pdb code 5cx7). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Crystal Structure of Pduoc:Heme Complex, PDB code: 5cx7:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 5cx7
Go back to
Iron Binding Sites List in 5cx7
Iron binding site 1 out
of 8 in the Crystal Structure of Pduoc:Heme Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystal Structure of Pduoc:Heme Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe201
b:29.4
occ:1.00
|
FE
|
A:HEM201
|
0.0
|
29.4
|
1.0
|
|
NE2
|
A:HIS18
|
1.9
|
30.0
|
1.0
|
|
ND
|
A:HEM201
|
1.9
|
32.5
|
1.0
|
|
NA
|
A:HEM201
|
2.0
|
33.3
|
1.0
|
|
NE2
|
B:HIS18
|
2.0
|
32.0
|
1.0
|
|
NB
|
A:HEM201
|
2.0
|
33.5
|
1.0
|
|
NC
|
A:HEM201
|
2.1
|
28.9
|
1.0
|
|
CE1
|
A:HIS18
|
2.8
|
31.7
|
1.0
|
|
C1A
|
A:HEM201
|
2.9
|
29.2
|
1.0
|
|
C4B
|
A:HEM201
|
2.9
|
28.9
|
1.0
|
|
C4D
|
A:HEM201
|
2.9
|
30.6
|
1.0
|
|
CD2
|
A:HIS18
|
3.0
|
25.1
|
1.0
|
|
CD2
|
B:HIS18
|
3.0
|
32.2
|
1.0
|
|
C1D
|
A:HEM201
|
3.0
|
31.1
|
1.0
|
|
CE1
|
B:HIS18
|
3.0
|
36.0
|
1.0
|
|
C1B
|
A:HEM201
|
3.0
|
29.3
|
1.0
|
|
C4A
|
A:HEM201
|
3.0
|
35.6
|
1.0
|
|
C1C
|
A:HEM201
|
3.1
|
30.3
|
1.0
|
|
C4C
|
A:HEM201
|
3.1
|
31.4
|
1.0
|
|
CHA
|
A:HEM201
|
3.3
|
29.6
|
1.0
|
|
CHC
|
A:HEM201
|
3.4
|
25.8
|
1.0
|
|
CHB
|
A:HEM201
|
3.4
|
29.5
|
1.0
|
|
CHD
|
A:HEM201
|
3.5
|
31.1
|
1.0
|
|
ND1
|
A:HIS18
|
3.9
|
32.5
|
1.0
|
|
CG
|
A:HIS18
|
4.0
|
22.8
|
1.0
|
|
ND1
|
B:HIS18
|
4.1
|
33.4
|
1.0
|
|
CG
|
B:HIS18
|
4.1
|
31.2
|
1.0
|
|
C2A
|
A:HEM201
|
4.1
|
39.0
|
1.0
|
|
C2B
|
A:HEM201
|
4.2
|
31.2
|
1.0
|
|
C3B
|
A:HEM201
|
4.2
|
32.0
|
1.0
|
|
C3A
|
A:HEM201
|
4.2
|
29.9
|
1.0
|
|
C3D
|
A:HEM201
|
4.2
|
36.5
|
1.0
|
|
C2D
|
A:HEM201
|
4.3
|
32.3
|
1.0
|
|
C2C
|
A:HEM201
|
4.3
|
29.7
|
1.0
|
|
C3C
|
A:HEM201
|
4.3
|
31.0
|
1.0
|
|
Iron binding site 2 out
of 8 in 5cx7
Go back to
Iron Binding Sites List in 5cx7
Iron binding site 2 out
of 8 in the Crystal Structure of Pduoc:Heme Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystal Structure of Pduoc:Heme Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe201
b:21.1
occ:1.00
|
FE
|
C:HEM201
|
0.0
|
21.1
|
1.0
|
|
NE2
|
C:HIS18
|
1.9
|
20.2
|
1.0
|
|
ND
|
C:HEM201
|
1.9
|
28.5
|
1.0
|
|
NC
|
C:HEM201
|
2.0
|
27.6
|
1.0
|
|
NE2
|
D:HIS18
|
2.0
|
24.3
|
1.0
|
|
NA
|
C:HEM201
|
2.0
|
24.9
|
1.0
|
|
NB
|
C:HEM201
|
2.1
|
27.9
|
1.0
|
|
CE1
|
C:HIS18
|
2.8
|
20.2
|
1.0
|
|
C1C
|
C:HEM201
|
2.9
|
28.0
|
1.0
|
|
C4D
|
C:HEM201
|
2.9
|
26.4
|
1.0
|
|
CD2
|
C:HIS18
|
2.9
|
17.6
|
1.0
|
|
C1A
|
C:HEM201
|
3.0
|
23.7
|
1.0
|
|
CD2
|
D:HIS18
|
3.0
|
22.1
|
1.0
|
|
C4C
|
C:HEM201
|
3.0
|
27.4
|
1.0
|
|
CE1
|
D:HIS18
|
3.0
|
26.1
|
1.0
|
|
C1D
|
C:HEM201
|
3.0
|
27.1
|
1.0
|
|
C4B
|
C:HEM201
|
3.1
|
26.4
|
1.0
|
|
C1B
|
C:HEM201
|
3.1
|
26.7
|
1.0
|
|
C4A
|
C:HEM201
|
3.2
|
24.5
|
1.0
|
|
CHC
|
C:HEM201
|
3.3
|
28.6
|
1.0
|
|
CHA
|
C:HEM201
|
3.3
|
28.0
|
1.0
|
|
CHD
|
C:HEM201
|
3.5
|
27.3
|
1.0
|
|
CHB
|
C:HEM201
|
3.6
|
24.7
|
1.0
|
|
ND1
|
C:HIS18
|
3.9
|
18.0
|
1.0
|
|
CG
|
C:HIS18
|
4.0
|
17.1
|
1.0
|
|
C2C
|
C:HEM201
|
4.1
|
27.8
|
1.0
|
|
ND1
|
D:HIS18
|
4.1
|
20.5
|
1.0
|
|
CG
|
D:HIS18
|
4.1
|
23.4
|
1.0
|
|
C3C
|
C:HEM201
|
4.1
|
29.4
|
1.0
|
|
C3D
|
C:HEM201
|
4.2
|
26.3
|
1.0
|
|
C2D
|
C:HEM201
|
4.2
|
30.1
|
1.0
|
|
C2A
|
C:HEM201
|
4.2
|
29.9
|
1.0
|
|
C3B
|
C:HEM201
|
4.3
|
30.9
|
1.0
|
|
C3A
|
C:HEM201
|
4.3
|
28.1
|
1.0
|
|
C2B
|
C:HEM201
|
4.4
|
31.9
|
1.0
|
|
Iron binding site 3 out
of 8 in 5cx7
Go back to
Iron Binding Sites List in 5cx7
Iron binding site 3 out
of 8 in the Crystal Structure of Pduoc:Heme Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystal Structure of Pduoc:Heme Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe201
b:26.1
occ:1.00
|
FE
|
E:HEM201
|
0.0
|
26.1
|
1.0
|
|
NA
|
E:HEM201
|
1.9
|
29.3
|
1.0
|
|
ND
|
E:HEM201
|
2.0
|
31.1
|
1.0
|
|
NE2
|
E:HIS18
|
2.0
|
25.3
|
1.0
|
|
NE2
|
F:HIS18
|
2.0
|
27.4
|
1.0
|
|
NC
|
E:HEM201
|
2.1
|
29.9
|
1.0
|
|
NB
|
E:HEM201
|
2.1
|
31.9
|
1.0
|
|
CE1
|
E:HIS18
|
2.9
|
28.0
|
1.0
|
|
C1A
|
E:HEM201
|
2.9
|
31.8
|
1.0
|
|
CD2
|
F:HIS18
|
2.9
|
28.2
|
1.0
|
|
C4D
|
E:HEM201
|
2.9
|
27.8
|
1.0
|
|
C4A
|
E:HEM201
|
3.0
|
32.7
|
1.0
|
|
C4B
|
E:HEM201
|
3.0
|
30.1
|
1.0
|
|
C1D
|
E:HEM201
|
3.0
|
31.3
|
1.0
|
|
CD2
|
E:HIS18
|
3.0
|
25.2
|
1.0
|
|
CE1
|
F:HIS18
|
3.0
|
30.3
|
1.0
|
|
C1C
|
E:HEM201
|
3.1
|
34.7
|
1.0
|
|
C1B
|
E:HEM201
|
3.1
|
31.0
|
1.0
|
|
C4C
|
E:HEM201
|
3.1
|
32.7
|
1.0
|
|
CHA
|
E:HEM201
|
3.3
|
28.3
|
1.0
|
|
CHC
|
E:HEM201
|
3.4
|
32.9
|
1.0
|
|
CHB
|
E:HEM201
|
3.5
|
29.2
|
1.0
|
|
CHD
|
E:HEM201
|
3.5
|
29.8
|
1.0
|
|
ND1
|
E:HIS18
|
4.0
|
27.2
|
1.0
|
|
C2A
|
E:HEM201
|
4.1
|
36.3
|
1.0
|
|
C3A
|
E:HEM201
|
4.1
|
34.2
|
1.0
|
|
CG
|
F:HIS18
|
4.1
|
27.0
|
1.0
|
|
CG
|
E:HIS18
|
4.1
|
25.0
|
1.0
|
|
ND1
|
F:HIS18
|
4.1
|
28.8
|
1.0
|
|
C3D
|
E:HEM201
|
4.2
|
37.4
|
1.0
|
|
C3B
|
E:HEM201
|
4.3
|
32.9
|
1.0
|
|
C2D
|
E:HEM201
|
4.3
|
32.8
|
1.0
|
|
C2B
|
E:HEM201
|
4.3
|
31.8
|
1.0
|
|
C2C
|
E:HEM201
|
4.3
|
37.7
|
1.0
|
|
C3C
|
E:HEM201
|
4.3
|
36.2
|
1.0
|
|
Iron binding site 4 out
of 8 in 5cx7
Go back to
Iron Binding Sites List in 5cx7
Iron binding site 4 out
of 8 in the Crystal Structure of Pduoc:Heme Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystal Structure of Pduoc:Heme Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe201
b:18.6
occ:1.00
|
FE
|
G:HEM201
|
0.0
|
18.6
|
1.0
|
|
ND
|
G:HEM201
|
1.9
|
18.5
|
1.0
|
|
NE2
|
H:HIS18
|
2.0
|
15.0
|
1.0
|
|
NB
|
G:HEM201
|
2.0
|
20.3
|
1.0
|
|
NA
|
G:HEM201
|
2.0
|
23.8
|
1.0
|
|
NE2
|
G:HIS18
|
2.0
|
16.4
|
1.0
|
|
NC
|
G:HEM201
|
2.1
|
17.3
|
1.0
|
|
CE1
|
H:HIS18
|
2.9
|
17.3
|
1.0
|
|
CE1
|
G:HIS18
|
2.9
|
19.1
|
1.0
|
|
C4D
|
G:HEM201
|
2.9
|
21.7
|
1.0
|
|
C1D
|
G:HEM201
|
3.0
|
17.1
|
1.0
|
|
C1B
|
G:HEM201
|
3.0
|
22.6
|
1.0
|
|
C4B
|
G:HEM201
|
3.0
|
20.8
|
1.0
|
|
C1A
|
G:HEM201
|
3.0
|
21.9
|
1.0
|
|
C4C
|
G:HEM201
|
3.1
|
16.8
|
1.0
|
|
C4A
|
G:HEM201
|
3.1
|
21.1
|
1.0
|
|
CD2
|
H:HIS18
|
3.1
|
16.2
|
1.0
|
|
C1C
|
G:HEM201
|
3.1
|
18.4
|
1.0
|
|
CD2
|
G:HIS18
|
3.1
|
17.2
|
1.0
|
|
CHA
|
G:HEM201
|
3.4
|
22.1
|
1.0
|
|
CHB
|
G:HEM201
|
3.4
|
21.1
|
1.0
|
|
CHC
|
G:HEM201
|
3.4
|
19.7
|
1.0
|
|
CHD
|
G:HEM201
|
3.5
|
16.1
|
1.0
|
|
ND1
|
H:HIS18
|
4.1
|
14.1
|
1.0
|
|
ND1
|
G:HIS18
|
4.1
|
17.8
|
1.0
|
|
C2B
|
G:HEM201
|
4.1
|
24.2
|
1.0
|
|
CG
|
H:HIS18
|
4.2
|
14.9
|
1.0
|
|
C2D
|
G:HEM201
|
4.2
|
20.4
|
1.0
|
|
CG
|
G:HIS18
|
4.2
|
16.7
|
1.0
|
|
C3D
|
G:HEM201
|
4.2
|
22.8
|
1.0
|
|
C3B
|
G:HEM201
|
4.2
|
22.8
|
1.0
|
|
C3C
|
G:HEM201
|
4.2
|
18.8
|
1.0
|
|
C2A
|
G:HEM201
|
4.2
|
27.9
|
1.0
|
|
C3A
|
G:HEM201
|
4.2
|
27.2
|
1.0
|
|
C2C
|
G:HEM201
|
4.3
|
18.4
|
1.0
|
|
O
|
H:HOH317
|
4.6
|
40.7
|
1.0
|
|
CD
|
H:ARG22
|
4.9
|
16.3
|
1.0
|
|
CD
|
G:ARG22
|
4.9
|
18.0
|
1.0
|
|
Iron binding site 5 out
of 8 in 5cx7
Go back to
Iron Binding Sites List in 5cx7
Iron binding site 5 out
of 8 in the Crystal Structure of Pduoc:Heme Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Crystal Structure of Pduoc:Heme Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe201
b:32.6
occ:1.00
|
FE
|
I:HEM201
|
0.0
|
32.6
|
1.0
|
|
ND
|
I:HEM201
|
1.9
|
45.4
|
1.0
|
|
NE2
|
I:HIS18
|
1.9
|
31.6
|
1.0
|
|
NA
|
I:HEM201
|
2.0
|
44.9
|
1.0
|
|
NE2
|
J:HIS18
|
2.0
|
30.6
|
1.0
|
|
NC
|
I:HEM201
|
2.0
|
46.6
|
1.0
|
|
NB
|
I:HEM201
|
2.1
|
43.5
|
1.0
|
|
C4D
|
I:HEM201
|
2.8
|
42.3
|
1.0
|
|
CE1
|
I:HIS18
|
2.9
|
37.2
|
1.0
|
|
C1D
|
I:HEM201
|
2.9
|
45.9
|
1.0
|
|
C1C
|
I:HEM201
|
3.0
|
38.1
|
1.0
|
|
C1A
|
I:HEM201
|
3.0
|
43.0
|
1.0
|
|
CD2
|
I:HIS18
|
3.0
|
30.1
|
1.0
|
|
C4B
|
I:HEM201
|
3.0
|
42.4
|
1.0
|
|
CD2
|
J:HIS18
|
3.0
|
29.8
|
1.0
|
|
C4C
|
I:HEM201
|
3.0
|
39.5
|
1.0
|
|
CE1
|
J:HIS18
|
3.1
|
34.8
|
1.0
|
|
C4A
|
I:HEM201
|
3.1
|
46.1
|
1.0
|
|
C1B
|
I:HEM201
|
3.1
|
47.0
|
1.0
|
|
CHA
|
I:HEM201
|
3.3
|
45.1
|
1.0
|
|
CHC
|
I:HEM201
|
3.3
|
37.4
|
1.0
|
|
CHD
|
I:HEM201
|
3.4
|
44.2
|
1.0
|
|
CHB
|
I:HEM201
|
3.5
|
46.5
|
1.0
|
|
ND1
|
I:HIS18
|
4.0
|
34.7
|
1.0
|
|
CG
|
I:HIS18
|
4.1
|
28.1
|
1.0
|
|
C3D
|
I:HEM201
|
4.1
|
47.0
|
1.0
|
|
C2D
|
I:HEM201
|
4.1
|
45.6
|
1.0
|
|
ND1
|
J:HIS18
|
4.2
|
31.8
|
1.0
|
|
CG
|
J:HIS18
|
4.2
|
28.1
|
1.0
|
|
C2C
|
I:HEM201
|
4.2
|
41.5
|
1.0
|
|
C3C
|
I:HEM201
|
4.2
|
44.4
|
1.0
|
|
C2A
|
I:HEM201
|
4.2
|
54.5
|
1.0
|
|
C3A
|
I:HEM201
|
4.3
|
52.1
|
1.0
|
|
C3B
|
I:HEM201
|
4.3
|
50.9
|
1.0
|
|
C2B
|
I:HEM201
|
4.3
|
44.1
|
1.0
|
|
CD
|
I:ARG22
|
4.9
|
41.1
|
1.0
|
|
Iron binding site 6 out
of 8 in 5cx7
Go back to
Iron Binding Sites List in 5cx7
Iron binding site 6 out
of 8 in the Crystal Structure of Pduoc:Heme Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Crystal Structure of Pduoc:Heme Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Fe201
b:21.6
occ:1.00
|
FE
|
K:HEM201
|
0.0
|
21.6
|
1.0
|
|
ND
|
K:HEM201
|
1.9
|
29.0
|
1.0
|
|
NE2
|
K:HIS18
|
2.0
|
19.4
|
1.0
|
|
NC
|
K:HEM201
|
2.0
|
25.0
|
1.0
|
|
NA
|
K:HEM201
|
2.0
|
25.9
|
1.0
|
|
NB
|
K:HEM201
|
2.1
|
30.6
|
1.0
|
|
NE2
|
L:HIS18
|
2.1
|
25.5
|
1.0
|
|
CE1
|
K:HIS18
|
2.9
|
19.7
|
1.0
|
|
C4D
|
K:HEM201
|
2.9
|
27.0
|
1.0
|
|
C1C
|
K:HEM201
|
2.9
|
25.5
|
1.0
|
|
CD2
|
K:HIS18
|
3.0
|
17.5
|
1.0
|
|
C1D
|
K:HEM201
|
3.0
|
26.1
|
1.0
|
|
C4C
|
K:HEM201
|
3.0
|
25.4
|
1.0
|
|
C4B
|
K:HEM201
|
3.0
|
31.8
|
1.0
|
|
C1A
|
K:HEM201
|
3.0
|
28.9
|
1.0
|
|
CD2
|
L:HIS18
|
3.0
|
26.9
|
1.0
|
|
C1B
|
K:HEM201
|
3.1
|
30.6
|
1.0
|
|
CE1
|
L:HIS18
|
3.1
|
28.9
|
1.0
|
|
C4A
|
K:HEM201
|
3.1
|
29.8
|
1.0
|
|
CHC
|
K:HEM201
|
3.3
|
27.0
|
1.0
|
|
CHA
|
K:HEM201
|
3.3
|
28.8
|
1.0
|
|
CHD
|
K:HEM201
|
3.4
|
25.9
|
1.0
|
|
CHB
|
K:HEM201
|
3.6
|
27.3
|
1.0
|
|
ND1
|
K:HIS18
|
4.0
|
17.4
|
1.0
|
|
CG
|
K:HIS18
|
4.1
|
16.3
|
1.0
|
|
C2C
|
K:HEM201
|
4.1
|
23.9
|
1.0
|
|
C3C
|
K:HEM201
|
4.1
|
23.4
|
1.0
|
|
C3D
|
K:HEM201
|
4.2
|
25.3
|
1.0
|
|
C2D
|
K:HEM201
|
4.2
|
26.7
|
1.0
|
|
ND1
|
L:HIS18
|
4.2
|
27.9
|
1.0
|
|
CG
|
L:HIS18
|
4.2
|
28.1
|
1.0
|
|
C2B
|
K:HEM201
|
4.2
|
32.8
|
1.0
|
|
C3B
|
K:HEM201
|
4.3
|
33.4
|
1.0
|
|
C2A
|
K:HEM201
|
4.3
|
37.5
|
1.0
|
|
C3A
|
K:HEM201
|
4.3
|
33.3
|
1.0
|
|
Iron binding site 7 out
of 8 in 5cx7
Go back to
Iron Binding Sites List in 5cx7
Iron binding site 7 out
of 8 in the Crystal Structure of Pduoc:Heme Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Crystal Structure of Pduoc:Heme Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Fe201
b:38.9
occ:1.00
|
FE
|
M:HEM201
|
0.0
|
38.9
|
1.0
|
|
ND
|
M:HEM201
|
1.9
|
46.2
|
1.0
|
|
NA
|
M:HEM201
|
2.0
|
43.3
|
1.0
|
|
NC
|
M:HEM201
|
2.0
|
37.4
|
1.0
|
|
NE2
|
M:HIS18
|
2.0
|
38.7
|
1.0
|
|
NE2
|
N:HIS18
|
2.1
|
40.5
|
1.0
|
|
NB
|
M:HEM201
|
2.1
|
40.1
|
1.0
|
|
C4D
|
M:HEM201
|
2.8
|
42.6
|
1.0
|
|
C1D
|
M:HEM201
|
2.9
|
44.5
|
1.0
|
|
CE1
|
N:HIS18
|
2.9
|
41.9
|
1.0
|
|
CD2
|
M:HIS18
|
3.0
|
39.0
|
1.0
|
|
C1A
|
M:HEM201
|
3.0
|
43.0
|
1.0
|
|
C1C
|
M:HEM201
|
3.0
|
38.8
|
1.0
|
|
CE1
|
M:HIS18
|
3.0
|
40.0
|
1.0
|
|
C4B
|
M:HEM201
|
3.0
|
39.7
|
1.0
|
|
C4C
|
M:HEM201
|
3.1
|
40.6
|
1.0
|
|
CD2
|
N:HIS18
|
3.1
|
38.1
|
1.0
|
|
C4A
|
M:HEM201
|
3.1
|
44.3
|
1.0
|
|
C1B
|
M:HEM201
|
3.1
|
45.8
|
1.0
|
|
CHA
|
M:HEM201
|
3.3
|
39.3
|
1.0
|
|
CHC
|
M:HEM201
|
3.4
|
39.8
|
1.0
|
|
CHD
|
M:HEM201
|
3.4
|
45.8
|
1.0
|
|
CHB
|
M:HEM201
|
3.6
|
43.5
|
1.0
|
|
C3D
|
M:HEM201
|
4.1
|
50.5
|
1.0
|
|
ND1
|
N:HIS18
|
4.1
|
42.9
|
1.0
|
|
ND1
|
M:HIS18
|
4.1
|
41.4
|
1.0
|
|
CG
|
M:HIS18
|
4.1
|
39.0
|
1.0
|
|
C2D
|
M:HEM201
|
4.1
|
49.5
|
1.0
|
|
CG
|
N:HIS18
|
4.2
|
37.1
|
1.0
|
|
C2A
|
M:HEM201
|
4.2
|
48.1
|
1.0
|
|
C2C
|
M:HEM201
|
4.2
|
41.9
|
1.0
|
|
C3C
|
M:HEM201
|
4.3
|
40.9
|
1.0
|
|
C3A
|
M:HEM201
|
4.3
|
49.9
|
1.0
|
|
C3B
|
M:HEM201
|
4.3
|
47.9
|
1.0
|
|
C2B
|
M:HEM201
|
4.3
|
46.0
|
1.0
|
|
Iron binding site 8 out
of 8 in 5cx7
Go back to
Iron Binding Sites List in 5cx7
Iron binding site 8 out
of 8 in the Crystal Structure of Pduoc:Heme Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Crystal Structure of Pduoc:Heme Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
O:Fe201
b:20.4
occ:1.00
|
FE
|
O:HEM201
|
0.0
|
20.4
|
1.0
|
|
ND
|
O:HEM201
|
1.9
|
29.8
|
1.0
|
|
NA
|
O:HEM201
|
2.0
|
23.9
|
1.0
|
|
NE2
|
O:HIS18
|
2.0
|
20.9
|
1.0
|
|
NC
|
O:HEM201
|
2.0
|
23.3
|
1.0
|
|
NB
|
O:HEM201
|
2.1
|
20.6
|
1.0
|
|
NE2
|
P:HIS18
|
2.1
|
18.6
|
1.0
|
|
CE1
|
O:HIS18
|
2.9
|
25.1
|
1.0
|
|
C1D
|
O:HEM201
|
2.9
|
24.8
|
1.0
|
|
C4D
|
O:HEM201
|
2.9
|
25.3
|
1.0
|
|
CE1
|
P:HIS18
|
3.0
|
19.2
|
1.0
|
|
C4B
|
O:HEM201
|
3.0
|
21.9
|
1.0
|
|
C1B
|
O:HEM201
|
3.0
|
20.3
|
1.0
|
|
CD2
|
O:HIS18
|
3.1
|
21.3
|
1.0
|
|
C4C
|
O:HEM201
|
3.1
|
26.9
|
1.0
|
|
C4A
|
O:HEM201
|
3.1
|
22.3
|
1.0
|
|
C1C
|
O:HEM201
|
3.1
|
23.1
|
1.0
|
|
C1A
|
O:HEM201
|
3.1
|
25.0
|
1.0
|
|
CD2
|
P:HIS18
|
3.2
|
19.1
|
1.0
|
|
CHD
|
O:HEM201
|
3.4
|
25.9
|
1.0
|
|
CHA
|
O:HEM201
|
3.4
|
26.5
|
1.0
|
|
CHC
|
O:HEM201
|
3.4
|
21.3
|
1.0
|
|
CHB
|
O:HEM201
|
3.5
|
19.3
|
1.0
|
|
ND1
|
O:HIS18
|
4.1
|
21.1
|
1.0
|
|
ND1
|
P:HIS18
|
4.1
|
15.7
|
1.0
|
|
C2D
|
O:HEM201
|
4.2
|
27.7
|
1.0
|
|
CG
|
O:HIS18
|
4.2
|
20.4
|
1.0
|
|
C3D
|
O:HEM201
|
4.2
|
28.8
|
1.0
|
|
C3C
|
O:HEM201
|
4.3
|
31.6
|
1.0
|
|
CG
|
P:HIS18
|
4.3
|
17.2
|
1.0
|
|
C3A
|
O:HEM201
|
4.3
|
25.6
|
1.0
|
|
C2B
|
O:HEM201
|
4.3
|
19.2
|
1.0
|
|
C2C
|
O:HEM201
|
4.3
|
26.3
|
1.0
|
|
C3B
|
O:HEM201
|
4.3
|
23.3
|
1.0
|
|
C2A
|
O:HEM201
|
4.3
|
28.3
|
1.0
|
|
CD
|
O:ARG22
|
4.9
|
22.4
|
1.0
|
|
CD
|
P:ARG22
|
4.9
|
15.7
|
1.0
|
|
Reference:
D.Ortiz De Orue Lucana,
N.Hickey,
M.Hensel,
J.P.Klare,
S.Geremia,
T.Tiufiakova,
A.E.Torda.
The Crystal Structure of the C-Terminal Domain of the Salmonella Enterica Pduo Protein: An Old Fold with A New Heme-Binding Mode. Front Microbiol V. 7 1010 2016.
ISSN: ESSN 1664-302X
PubMed: 27446048
DOI: 10.3389/FMICB.2016.01010
Page generated: Mon Aug 5 21:37:09 2024
|
