Iron in PDB 5mnv: Structural and Functional Characterization of Olep in Complex with 6DEB in Peg
Protein crystallography data
The structure of Structural and Functional Characterization of Olep in Complex with 6DEB in Peg, PDB code: 5mnv
was solved by
G.Parisi,
C.Savino,
L.C.Montemiglio,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
39.97 /
2.97
|
|
Space group
|
P 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
112.500,
116.700,
123.300,
103.90,
104.30,
114.70
|
|
R / Rfree (%)
|
23.8 /
31.1
|
Iron Binding Sites:
The binding sites of Iron atom in the Structural and Functional Characterization of Olep in Complex with 6DEB in Peg
(pdb code 5mnv). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 9 binding sites of Iron where determined in the
Structural and Functional Characterization of Olep in Complex with 6DEB in Peg, PDB code: 5mnv:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Iron binding site 1 out
of 9 in 5mnv
Go back to
Iron Binding Sites List in 5mnv
Iron binding site 1 out
of 9 in the Structural and Functional Characterization of Olep in Complex with 6DEB in Peg
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Structural and Functional Characterization of Olep in Complex with 6DEB in Peg within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:36.7
occ:1.00
|
FE
|
A:HEM501
|
0.0
|
36.7
|
1.0
|
|
ND
|
A:HEM501
|
1.9
|
37.7
|
1.0
|
|
NA
|
A:HEM501
|
2.0
|
35.8
|
1.0
|
|
NC
|
A:HEM501
|
2.1
|
35.2
|
1.0
|
|
NB
|
A:HEM501
|
2.1
|
35.8
|
1.0
|
|
O
|
A:HOH605
|
2.2
|
39.2
|
1.0
|
|
SG
|
A:CYS356
|
2.5
|
35.0
|
1.0
|
|
C4D
|
A:HEM501
|
2.9
|
37.7
|
1.0
|
|
C1D
|
A:HEM501
|
2.9
|
37.0
|
1.0
|
|
C1A
|
A:HEM501
|
3.0
|
35.4
|
1.0
|
|
C4A
|
A:HEM501
|
3.0
|
36.5
|
1.0
|
|
C4C
|
A:HEM501
|
3.1
|
35.9
|
1.0
|
|
C4B
|
A:HEM501
|
3.1
|
35.2
|
1.0
|
|
C1B
|
A:HEM501
|
3.1
|
36.7
|
1.0
|
|
C1C
|
A:HEM501
|
3.1
|
35.4
|
1.0
|
|
CHA
|
A:HEM501
|
3.4
|
37.1
|
1.0
|
|
CHD
|
A:HEM501
|
3.4
|
36.7
|
1.0
|
|
CB
|
A:CYS356
|
3.4
|
38.1
|
1.0
|
|
CHB
|
A:HEM501
|
3.5
|
37.2
|
1.0
|
|
CHC
|
A:HEM501
|
3.5
|
35.6
|
1.0
|
|
O
|
A:ALA244
|
3.7
|
40.6
|
1.0
|
|
CA
|
A:CYS356
|
4.1
|
40.3
|
1.0
|
|
C2D
|
A:HEM501
|
4.2
|
37.2
|
1.0
|
|
C3D
|
A:HEM501
|
4.2
|
38.0
|
1.0
|
|
O24
|
A:DEB502
|
4.2
|
51.7
|
1.0
|
|
C2A
|
A:HEM501
|
4.2
|
33.4
|
1.0
|
|
C3A
|
A:HEM501
|
4.2
|
34.2
|
1.0
|
|
C3C
|
A:HEM501
|
4.3
|
34.7
|
1.0
|
|
C2C
|
A:HEM501
|
4.3
|
34.2
|
1.0
|
|
C2B
|
A:HEM501
|
4.3
|
35.9
|
1.0
|
|
C3B
|
A:HEM501
|
4.3
|
34.4
|
1.0
|
|
C
|
A:ALA244
|
4.6
|
41.5
|
1.0
|
|
N
|
A:ILE357
|
4.8
|
46.3
|
1.0
|
|
N
|
A:GLY358
|
4.8
|
46.7
|
1.0
|
|
CB
|
A:ALA244
|
4.8
|
42.0
|
1.0
|
|
C
|
A:CYS356
|
4.8
|
43.3
|
1.0
|
|
OG1
|
A:THR248
|
4.8
|
42.2
|
1.0
|
|
Iron binding site 2 out
of 9 in 5mnv
Go back to
Iron Binding Sites List in 5mnv
Iron binding site 2 out
of 9 in the Structural and Functional Characterization of Olep in Complex with 6DEB in Peg
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Structural and Functional Characterization of Olep in Complex with 6DEB in Peg within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe501
b:62.3
occ:1.00
|
FE
|
B:HEM501
|
0.0
|
62.3
|
1.0
|
|
ND
|
B:HEM501
|
1.9
|
61.1
|
1.0
|
|
NA
|
B:HEM501
|
2.0
|
60.8
|
1.0
|
|
NB
|
B:HEM501
|
2.1
|
58.4
|
1.0
|
|
NC
|
B:HEM501
|
2.1
|
57.5
|
1.0
|
|
SG
|
B:CYS356
|
2.4
|
64.9
|
1.0
|
|
C4D
|
B:HEM501
|
2.9
|
60.2
|
1.0
|
|
C1D
|
B:HEM501
|
2.9
|
58.7
|
1.0
|
|
C1A
|
B:HEM501
|
3.0
|
61.0
|
1.0
|
|
C4A
|
B:HEM501
|
3.0
|
61.3
|
1.0
|
|
C1B
|
B:HEM501
|
3.1
|
59.2
|
1.0
|
|
C4C
|
B:HEM501
|
3.1
|
56.5
|
1.0
|
|
C4B
|
B:HEM501
|
3.1
|
58.1
|
1.0
|
|
C1C
|
B:HEM501
|
3.1
|
54.8
|
1.0
|
|
CB
|
B:CYS356
|
3.3
|
66.5
|
1.0
|
|
CHA
|
B:HEM501
|
3.4
|
60.0
|
1.0
|
|
CHD
|
B:HEM501
|
3.4
|
56.2
|
1.0
|
|
CHB
|
B:HEM501
|
3.4
|
61.2
|
1.0
|
|
CHC
|
B:HEM501
|
3.5
|
54.7
|
1.0
|
|
C23
|
B:DEB502
|
4.1
|
55.1
|
1.0
|
|
C3D
|
B:HEM501
|
4.2
|
61.1
|
1.0
|
|
C2D
|
B:HEM501
|
4.2
|
59.8
|
1.0
|
|
C2A
|
B:HEM501
|
4.2
|
63.5
|
1.0
|
|
C3A
|
B:HEM501
|
4.2
|
62.1
|
1.0
|
|
CA
|
B:CYS356
|
4.2
|
66.5
|
1.0
|
|
C3C
|
B:HEM501
|
4.3
|
56.8
|
1.0
|
|
C2B
|
B:HEM501
|
4.3
|
59.0
|
1.0
|
|
C2C
|
B:HEM501
|
4.3
|
56.1
|
1.0
|
|
C3B
|
B:HEM501
|
4.3
|
58.1
|
1.0
|
|
CG2
|
B:THR248
|
4.6
|
55.6
|
1.0
|
|
CB
|
B:ALA244
|
4.7
|
50.6
|
1.0
|
|
C8
|
B:DEB502
|
4.7
|
54.3
|
1.0
|
|
C9
|
B:DEB502
|
5.0
|
55.8
|
1.0
|
|
Iron binding site 3 out
of 9 in 5mnv
Go back to
Iron Binding Sites List in 5mnv
Iron binding site 3 out
of 9 in the Structural and Functional Characterization of Olep in Complex with 6DEB in Peg
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Structural and Functional Characterization of Olep in Complex with 6DEB in Peg within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe501
b:47.4
occ:1.00
|
FE
|
C:HEM501
|
0.0
|
47.4
|
1.0
|
|
ND
|
C:HEM501
|
1.9
|
46.3
|
1.0
|
|
NA
|
C:HEM501
|
2.0
|
46.6
|
1.0
|
|
NC
|
C:HEM501
|
2.1
|
45.0
|
1.0
|
|
NB
|
C:HEM501
|
2.1
|
47.2
|
1.0
|
|
SG
|
C:CYS356
|
2.1
|
50.8
|
1.0
|
|
C4D
|
C:HEM501
|
2.9
|
45.6
|
1.0
|
|
C1D
|
C:HEM501
|
2.9
|
46.3
|
1.0
|
|
C1A
|
C:HEM501
|
3.0
|
45.0
|
1.0
|
|
C4A
|
C:HEM501
|
3.0
|
47.1
|
1.0
|
|
C4B
|
C:HEM501
|
3.1
|
46.6
|
1.0
|
|
C4C
|
C:HEM501
|
3.1
|
45.4
|
1.0
|
|
C1B
|
C:HEM501
|
3.1
|
47.7
|
1.0
|
|
C1C
|
C:HEM501
|
3.1
|
44.5
|
1.0
|
|
CHA
|
C:HEM501
|
3.3
|
44.9
|
1.0
|
|
CHD
|
C:HEM501
|
3.4
|
45.6
|
1.0
|
|
CHB
|
C:HEM501
|
3.4
|
47.2
|
1.0
|
|
CB
|
C:CYS356
|
3.5
|
50.0
|
1.0
|
|
CHC
|
C:HEM501
|
3.5
|
44.6
|
1.0
|
|
C23
|
C:DEB502
|
4.1
|
46.3
|
1.0
|
|
C3D
|
C:HEM501
|
4.1
|
47.2
|
1.0
|
|
C2D
|
C:HEM501
|
4.2
|
45.2
|
1.0
|
|
C2A
|
C:HEM501
|
4.2
|
44.6
|
1.0
|
|
C3A
|
C:HEM501
|
4.2
|
45.4
|
1.0
|
|
C3C
|
C:HEM501
|
4.3
|
44.2
|
1.0
|
|
C2B
|
C:HEM501
|
4.3
|
47.6
|
1.0
|
|
C2C
|
C:HEM501
|
4.3
|
44.8
|
1.0
|
|
C3B
|
C:HEM501
|
4.3
|
47.4
|
1.0
|
|
CA
|
C:CYS356
|
4.3
|
50.4
|
1.0
|
|
C8
|
C:DEB502
|
4.7
|
46.6
|
1.0
|
|
CB
|
C:ALA244
|
4.8
|
51.7
|
1.0
|
|
CG2
|
C:THR248
|
4.9
|
36.3
|
1.0
|
|
C9
|
C:DEB502
|
4.9
|
46.9
|
1.0
|
|
Iron binding site 4 out
of 9 in 5mnv
Go back to
Iron Binding Sites List in 5mnv
Iron binding site 4 out
of 9 in the Structural and Functional Characterization of Olep in Complex with 6DEB in Peg
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Structural and Functional Characterization of Olep in Complex with 6DEB in Peg within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe501
b:32.3
occ:1.00
|
FE
|
D:HEM501
|
0.0
|
32.3
|
1.0
|
|
ND
|
D:HEM501
|
1.9
|
37.1
|
1.0
|
|
NA
|
D:HEM501
|
2.0
|
35.7
|
1.0
|
|
NC
|
D:HEM501
|
2.1
|
32.6
|
1.0
|
|
NB
|
D:HEM501
|
2.1
|
33.8
|
1.0
|
|
SG
|
D:CYS356
|
2.7
|
39.1
|
1.0
|
|
C4D
|
D:HEM501
|
2.9
|
38.4
|
1.0
|
|
C1D
|
D:HEM501
|
2.9
|
37.4
|
1.0
|
|
C1A
|
D:HEM501
|
3.0
|
36.8
|
1.0
|
|
C4B
|
D:HEM501
|
3.0
|
34.6
|
1.0
|
|
C4A
|
D:HEM501
|
3.0
|
36.2
|
1.0
|
|
C4C
|
D:HEM501
|
3.1
|
33.7
|
1.0
|
|
C1B
|
D:HEM501
|
3.1
|
34.7
|
1.0
|
|
C1C
|
D:HEM501
|
3.1
|
32.7
|
1.0
|
|
CHA
|
D:HEM501
|
3.4
|
37.8
|
1.0
|
|
CHD
|
D:HEM501
|
3.4
|
35.7
|
1.0
|
|
CHB
|
D:HEM501
|
3.4
|
35.9
|
1.0
|
|
CHC
|
D:HEM501
|
3.4
|
33.9
|
1.0
|
|
CB
|
D:CYS356
|
3.5
|
40.4
|
1.0
|
|
O
|
D:ALA244
|
3.6
|
40.9
|
1.0
|
|
C2D
|
D:HEM501
|
4.2
|
38.4
|
1.0
|
|
C3D
|
D:HEM501
|
4.2
|
39.5
|
1.0
|
|
CA
|
D:CYS356
|
4.2
|
43.1
|
1.0
|
|
O24
|
D:DEB502
|
4.2
|
41.7
|
1.0
|
|
C2A
|
D:HEM501
|
4.2
|
36.7
|
1.0
|
|
C3A
|
D:HEM501
|
4.2
|
36.3
|
1.0
|
|
C3C
|
D:HEM501
|
4.3
|
32.9
|
1.0
|
|
C2B
|
D:HEM501
|
4.3
|
34.7
|
1.0
|
|
C2C
|
D:HEM501
|
4.3
|
32.0
|
1.0
|
|
C3B
|
D:HEM501
|
4.3
|
35.4
|
1.0
|
|
C
|
D:ALA244
|
4.5
|
42.4
|
1.0
|
|
OG1
|
D:THR248
|
4.7
|
44.9
|
1.0
|
|
N
|
D:ILE357
|
4.7
|
47.0
|
1.0
|
|
CB
|
D:ALA244
|
4.7
|
44.1
|
1.0
|
|
C
|
D:CYS356
|
4.8
|
44.9
|
1.0
|
|
CG2
|
D:THR248
|
4.9
|
43.6
|
1.0
|
|
N
|
D:GLY358
|
5.0
|
44.7
|
1.0
|
|
Iron binding site 5 out
of 9 in 5mnv
Go back to
Iron Binding Sites List in 5mnv
Iron binding site 5 out
of 9 in the Structural and Functional Characterization of Olep in Complex with 6DEB in Peg
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Structural and Functional Characterization of Olep in Complex with 6DEB in Peg within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe501
b:64.1
occ:1.00
|
FE
|
E:HEM501
|
0.0
|
64.1
|
1.0
|
|
ND
|
E:HEM501
|
1.9
|
68.1
|
1.0
|
|
NA
|
E:HEM501
|
2.0
|
66.8
|
1.0
|
|
NC
|
E:HEM501
|
2.1
|
65.2
|
1.0
|
|
NB
|
E:HEM501
|
2.1
|
64.0
|
1.0
|
|
SG
|
E:CYS356
|
2.5
|
60.7
|
1.0
|
|
C4D
|
E:HEM501
|
2.9
|
70.0
|
1.0
|
|
C1D
|
E:HEM501
|
2.9
|
66.6
|
1.0
|
|
C1A
|
E:HEM501
|
3.0
|
69.6
|
1.0
|
|
C4A
|
E:HEM501
|
3.0
|
66.0
|
1.0
|
|
C4C
|
E:HEM501
|
3.1
|
66.7
|
1.0
|
|
C4B
|
E:HEM501
|
3.1
|
65.8
|
1.0
|
|
C1B
|
E:HEM501
|
3.1
|
63.7
|
1.0
|
|
C1C
|
E:HEM501
|
3.1
|
66.9
|
1.0
|
|
CB
|
E:CYS356
|
3.2
|
66.3
|
1.0
|
|
CHA
|
E:HEM501
|
3.4
|
69.8
|
1.0
|
|
CHD
|
E:HEM501
|
3.4
|
66.2
|
1.0
|
|
CHB
|
E:HEM501
|
3.5
|
65.3
|
1.0
|
|
CHC
|
E:HEM501
|
3.5
|
66.4
|
1.0
|
|
CA
|
E:CYS356
|
4.1
|
67.3
|
1.0
|
|
O24
|
E:DEB502
|
4.2
|
78.3
|
1.0
|
|
C3D
|
E:HEM501
|
4.2
|
69.9
|
1.0
|
|
C2D
|
E:HEM501
|
4.2
|
68.1
|
1.0
|
|
C2A
|
E:HEM501
|
4.2
|
73.7
|
1.0
|
|
C3A
|
E:HEM501
|
4.2
|
69.4
|
1.0
|
|
C3C
|
E:HEM501
|
4.3
|
68.1
|
1.0
|
|
C2C
|
E:HEM501
|
4.3
|
67.7
|
1.0
|
|
C2B
|
E:HEM501
|
4.3
|
63.0
|
1.0
|
|
C3B
|
E:HEM501
|
4.3
|
65.7
|
1.0
|
|
O
|
E:ALA244
|
4.5
|
73.2
|
1.0
|
|
CB
|
E:ALA244
|
4.8
|
78.3
|
1.0
|
|
C
|
E:ALA244
|
4.9
|
75.8
|
1.0
|
|
C
|
E:CYS356
|
4.9
|
65.7
|
1.0
|
|
OG1
|
E:THR248
|
5.0
|
69.2
|
1.0
|
|
CD1
|
E:PHE349
|
5.0
|
58.7
|
1.0
|
|
Iron binding site 6 out
of 9 in 5mnv
Go back to
Iron Binding Sites List in 5mnv
Iron binding site 6 out
of 9 in the Structural and Functional Characterization of Olep in Complex with 6DEB in Peg
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Structural and Functional Characterization of Olep in Complex with 6DEB in Peg within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe501
b:74.0
occ:1.00
|
FE
|
F:HEM501
|
0.0
|
74.0
|
1.0
|
|
O
|
F:HOH601
|
1.9
|
48.1
|
1.0
|
|
ND
|
F:HEM501
|
1.9
|
80.6
|
1.0
|
|
NA
|
F:HEM501
|
2.0
|
80.5
|
1.0
|
|
NC
|
F:HEM501
|
2.1
|
82.4
|
1.0
|
|
NB
|
F:HEM501
|
2.1
|
83.3
|
1.0
|
|
SG
|
F:CYS356
|
2.4
|
51.9
|
1.0
|
|
C4D
|
F:HEM501
|
2.9
|
79.9
|
1.0
|
|
C1D
|
F:HEM501
|
2.9
|
82.8
|
1.0
|
|
C1A
|
F:HEM501
|
3.0
|
81.3
|
1.0
|
|
C4A
|
F:HEM501
|
3.0
|
81.3
|
1.0
|
|
C4B
|
F:HEM501
|
3.1
|
84.8
|
1.0
|
|
C4C
|
F:HEM501
|
3.1
|
82.8
|
1.0
|
|
C1B
|
F:HEM501
|
3.1
|
82.8
|
1.0
|
|
C1C
|
F:HEM501
|
3.1
|
84.1
|
1.0
|
|
CHA
|
F:HEM501
|
3.4
|
81.2
|
1.0
|
|
CHD
|
F:HEM501
|
3.4
|
83.3
|
1.0
|
|
CB
|
F:CYS356
|
3.5
|
56.9
|
1.0
|
|
CHB
|
F:HEM501
|
3.5
|
83.2
|
1.0
|
|
CHC
|
F:HEM501
|
3.5
|
86.0
|
1.0
|
|
C3D
|
F:HEM501
|
4.1
|
77.6
|
1.0
|
|
C2D
|
F:HEM501
|
4.2
|
80.6
|
1.0
|
|
C2A
|
F:HEM501
|
4.2
|
78.8
|
1.0
|
|
C3A
|
F:HEM501
|
4.2
|
77.8
|
1.0
|
|
CA
|
F:CYS356
|
4.2
|
59.4
|
1.0
|
|
C3C
|
F:HEM501
|
4.3
|
84.3
|
1.0
|
|
C2B
|
F:HEM501
|
4.3
|
82.4
|
1.0
|
|
O24
|
F:DEB502
|
4.3
|
56.6
|
1.0
|
|
C2C
|
F:HEM501
|
4.3
|
83.0
|
1.0
|
|
C3B
|
F:HEM501
|
4.3
|
82.3
|
1.0
|
|
O
|
F:ALA244
|
4.3
|
50.8
|
1.0
|
|
OG1
|
F:THR248
|
4.7
|
61.2
|
1.0
|
|
CG2
|
F:THR248
|
4.8
|
59.4
|
1.0
|
|
N
|
F:GLY358
|
4.9
|
72.8
|
1.0
|
|
C
|
F:ALA244
|
5.0
|
52.6
|
1.0
|
|
N
|
F:ILE357
|
5.0
|
64.9
|
1.0
|
|
Iron binding site 7 out
of 9 in 5mnv
Go back to
Iron Binding Sites List in 5mnv
Iron binding site 7 out
of 9 in the Structural and Functional Characterization of Olep in Complex with 6DEB in Peg
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Structural and Functional Characterization of Olep in Complex with 6DEB in Peg within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe501
b:77.4
occ:1.00
|
FE
|
G:HEM501
|
0.0
|
77.4
|
1.0
|
|
ND
|
G:HEM501
|
1.9
|
81.8
|
1.0
|
|
NA
|
G:HEM501
|
2.0
|
82.5
|
1.0
|
|
NC
|
G:HEM501
|
2.1
|
80.8
|
1.0
|
|
NB
|
G:HEM501
|
2.1
|
82.1
|
1.0
|
|
SG
|
G:CYS356
|
2.2
|
87.5
|
1.0
|
|
C4D
|
G:HEM501
|
2.9
|
81.4
|
1.0
|
|
C1D
|
G:HEM501
|
2.9
|
82.6
|
1.0
|
|
C1A
|
G:HEM501
|
3.0
|
84.6
|
1.0
|
|
C4A
|
G:HEM501
|
3.1
|
82.2
|
1.0
|
|
C4C
|
G:HEM501
|
3.1
|
83.2
|
1.0
|
|
C4B
|
G:HEM501
|
3.1
|
84.1
|
1.0
|
|
C1B
|
G:HEM501
|
3.1
|
80.8
|
1.0
|
|
C1C
|
G:HEM501
|
3.1
|
83.0
|
1.0
|
|
CHA
|
G:HEM501
|
3.4
|
82.0
|
1.0
|
|
CHD
|
G:HEM501
|
3.4
|
83.5
|
1.0
|
|
CHB
|
G:HEM501
|
3.5
|
82.0
|
1.0
|
|
CHC
|
G:HEM501
|
3.5
|
83.9
|
1.0
|
|
CB
|
G:CYS356
|
3.5
|
85.1
|
1.0
|
|
C3D
|
G:HEM501
|
4.2
|
83.4
|
1.0
|
|
C2D
|
G:HEM501
|
4.2
|
83.9
|
1.0
|
|
O24
|
G:DEB502
|
4.2
|
0.7
|
1.0
|
|
CA
|
G:CYS356
|
4.2
|
84.1
|
1.0
|
|
C2A
|
G:HEM501
|
4.2
|
89.0
|
1.0
|
|
C3A
|
G:HEM501
|
4.2
|
84.4
|
1.0
|
|
C3C
|
G:HEM501
|
4.3
|
85.2
|
1.0
|
|
C2C
|
G:HEM501
|
4.3
|
85.5
|
1.0
|
|
C2B
|
G:HEM501
|
4.3
|
79.9
|
1.0
|
|
C3B
|
G:HEM501
|
4.3
|
84.0
|
1.0
|
|
O
|
G:ALA244
|
4.4
|
97.5
|
1.0
|
|
CG2
|
G:THR248
|
4.6
|
92.1
|
1.0
|
|
N
|
G:ILE357
|
4.8
|
81.8
|
1.0
|
|
Iron binding site 8 out
of 9 in 5mnv
Go back to
Iron Binding Sites List in 5mnv
Iron binding site 8 out
of 9 in the Structural and Functional Characterization of Olep in Complex with 6DEB in Peg
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Structural and Functional Characterization of Olep in Complex with 6DEB in Peg within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe501
b:77.0
occ:1.00
|
FE
|
H:HEM501
|
0.0
|
77.0
|
1.0
|
|
ND
|
H:HEM501
|
1.9
|
86.6
|
1.0
|
|
SG
|
H:CYS356
|
2.0
|
62.5
|
1.0
|
|
NA
|
H:HEM501
|
2.0
|
84.4
|
1.0
|
|
NC
|
H:HEM501
|
2.1
|
81.7
|
1.0
|
|
NB
|
H:HEM501
|
2.1
|
87.3
|
1.0
|
|
O
|
H:HOH602
|
2.6
|
38.3
|
1.0
|
|
C1D
|
H:HEM501
|
2.9
|
88.2
|
1.0
|
|
C4D
|
H:HEM501
|
2.9
|
88.6
|
1.0
|
|
C1A
|
H:HEM501
|
3.0
|
86.5
|
1.0
|
|
C4A
|
H:HEM501
|
3.0
|
86.5
|
1.0
|
|
C4C
|
H:HEM501
|
3.1
|
84.7
|
1.0
|
|
C4B
|
H:HEM501
|
3.1
|
88.3
|
1.0
|
|
C1B
|
H:HEM501
|
3.1
|
89.0
|
1.0
|
|
C1C
|
H:HEM501
|
3.1
|
83.1
|
1.0
|
|
CB
|
H:CYS356
|
3.2
|
63.3
|
1.0
|
|
CHA
|
H:HEM501
|
3.4
|
89.9
|
1.0
|
|
CHD
|
H:HEM501
|
3.4
|
88.6
|
1.0
|
|
CHB
|
H:HEM501
|
3.4
|
90.0
|
1.0
|
|
CHC
|
H:HEM501
|
3.5
|
87.8
|
1.0
|
|
CA
|
H:CYS356
|
4.0
|
63.3
|
1.0
|
|
O
|
H:ALA244
|
4.0
|
68.1
|
1.0
|
|
C2D
|
H:HEM501
|
4.2
|
87.9
|
1.0
|
|
C3D
|
H:HEM501
|
4.2
|
86.7
|
1.0
|
|
C3A
|
H:HEM501
|
4.2
|
84.6
|
1.0
|
|
C2A
|
H:HEM501
|
4.2
|
83.9
|
1.0
|
|
C3C
|
H:HEM501
|
4.3
|
82.4
|
1.0
|
|
C2C
|
H:HEM501
|
4.3
|
81.2
|
1.0
|
|
C2B
|
H:HEM501
|
4.3
|
87.4
|
1.0
|
|
C3B
|
H:HEM501
|
4.3
|
88.9
|
1.0
|
|
O24
|
H:DEB502
|
4.4
|
63.6
|
1.0
|
|
C
|
H:ALA244
|
4.8
|
69.2
|
1.0
|
|
C
|
H:CYS356
|
4.8
|
63.2
|
1.0
|
|
N
|
H:ILE357
|
4.9
|
68.7
|
1.0
|
|
OG1
|
H:THR248
|
5.0
|
70.2
|
1.0
|
|
Iron binding site 9 out
of 9 in 5mnv
Go back to
Iron Binding Sites List in 5mnv
Iron binding site 9 out
of 9 in the Structural and Functional Characterization of Olep in Complex with 6DEB in Peg
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Structural and Functional Characterization of Olep in Complex with 6DEB in Peg within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe501
b:0.5
occ:1.00
|
FE
|
I:HEM501
|
0.0
|
0.5
|
1.0
|
|
ND
|
I:HEM501
|
1.9
|
0.8
|
1.0
|
|
NA
|
I:HEM501
|
2.0
|
0.2
|
1.0
|
|
NC
|
I:HEM501
|
2.1
|
0.2
|
1.0
|
|
NB
|
I:HEM501
|
2.1
|
0.0
|
1.0
|
|
C4D
|
I:HEM501
|
2.9
|
0.4
|
1.0
|
|
C1D
|
I:HEM501
|
2.9
|
0.4
|
1.0
|
|
C1A
|
I:HEM501
|
3.0
|
0.5
|
1.0
|
|
C4A
|
I:HEM501
|
3.0
|
0.6
|
1.0
|
|
C4C
|
I:HEM501
|
3.1
|
1.0
|
1.0
|
|
C1B
|
I:HEM501
|
3.1
|
0.6
|
1.0
|
|
C4B
|
I:HEM501
|
3.1
|
0.0
|
1.0
|
|
C1C
|
I:HEM501
|
3.1
|
0.3
|
1.0
|
|
SG
|
I:CYS356
|
3.3
|
0.6
|
1.0
|
|
CHA
|
I:HEM501
|
3.3
|
0.6
|
1.0
|
|
CHD
|
I:HEM501
|
3.4
|
0.7
|
1.0
|
|
CHB
|
I:HEM501
|
3.5
|
0.6
|
1.0
|
|
CHC
|
I:HEM501
|
3.5
|
0.3
|
1.0
|
|
CB
|
I:CYS356
|
3.8
|
0.8
|
1.0
|
|
CA
|
I:CYS356
|
4.1
|
0.7
|
1.0
|
|
C3D
|
I:HEM501
|
4.1
|
0.5
|
1.0
|
|
C2D
|
I:HEM501
|
4.2
|
0.4
|
1.0
|
|
C2A
|
I:HEM501
|
4.2
|
0.4
|
1.0
|
|
C3A
|
I:HEM501
|
4.2
|
0.0
|
1.0
|
|
C3C
|
I:HEM501
|
4.3
|
0.5
|
1.0
|
|
C2C
|
I:HEM501
|
4.3
|
0.3
|
1.0
|
|
C2B
|
I:HEM501
|
4.3
|
0.9
|
1.0
|
|
C23
|
I:DEB502
|
4.3
|
0.5
|
1.0
|
|
C3B
|
I:HEM501
|
4.4
|
0.5
|
1.0
|
|
C8
|
I:DEB502
|
4.4
|
0.7
|
1.0
|
|
O24
|
I:DEB502
|
4.5
|
0.1
|
1.0
|
|
N
|
I:ILE357
|
4.7
|
0.2
|
1.0
|
|
C9
|
I:DEB502
|
4.8
|
0.2
|
1.0
|
|
OG1
|
I:THR248
|
4.9
|
0.5
|
1.0
|
|
CB
|
I:ALA244
|
4.9
|
0.4
|
1.0
|
|
C
|
I:CYS356
|
4.9
|
0.1
|
1.0
|
|
CG2
|
I:THR248
|
5.0
|
0.8
|
1.0
|
|
Reference:
G.Parisi,
L.C.Montemiglio,
A.Giuffre,
A.Macone,
A.Scaglione,
G.Cerutti,
C.Exertier,
C.Savino,
B.Vallone.
Substrate-Induced Conformational Change in Cytochrome P450 Olep. Faseb J. V. 33 1787 2019.
ISSN: ESSN 1530-6860
PubMed: 30207799
DOI: 10.1096/FJ.201800450RR
Page generated: Tue Aug 6 06:01:41 2024
|
