Iron in PDB 5z9j: Identification of the Functions of Unusual Cytochrome P450-Like Monooxygenases Involved in Microbial Secondary Metablism
Protein crystallography data
The structure of Identification of the Functions of Unusual Cytochrome P450-Like Monooxygenases Involved in Microbial Secondary Metablism, PDB code: 5z9j
was solved by
M.Lu,
L.Lin,
C.Zhang,
Y.Chen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
46.33 /
2.00
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
56.956,
78.469,
97.680,
78.27,
72.63,
69.46
|
R / Rfree (%)
|
22.2 /
26.2
|
Iron Binding Sites:
The binding sites of Iron atom in the Identification of the Functions of Unusual Cytochrome P450-Like Monooxygenases Involved in Microbial Secondary Metablism
(pdb code 5z9j). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Identification of the Functions of Unusual Cytochrome P450-Like Monooxygenases Involved in Microbial Secondary Metablism, PDB code: 5z9j:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 5z9j
Go back to
Iron Binding Sites List in 5z9j
Iron binding site 1 out
of 4 in the Identification of the Functions of Unusual Cytochrome P450-Like Monooxygenases Involved in Microbial Secondary Metablism
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Identification of the Functions of Unusual Cytochrome P450-Like Monooxygenases Involved in Microbial Secondary Metablism within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:58.4
occ:1.00
|
FE
|
A:HEM401
|
0.0
|
58.4
|
1.0
|
ND
|
A:HEM401
|
2.0
|
24.5
|
1.0
|
NB
|
A:HEM401
|
2.0
|
24.4
|
1.0
|
NC
|
A:HEM401
|
2.1
|
22.4
|
1.0
|
NA
|
A:HEM401
|
2.1
|
23.9
|
1.0
|
SG
|
A:CYS347
|
2.6
|
24.7
|
1.0
|
O
|
A:HOH591
|
2.9
|
41.1
|
1.0
|
C4D
|
A:HEM401
|
3.0
|
21.8
|
1.0
|
C1D
|
A:HEM401
|
3.0
|
20.4
|
1.0
|
C4B
|
A:HEM401
|
3.0
|
22.7
|
1.0
|
C1C
|
A:HEM401
|
3.1
|
20.9
|
1.0
|
C4C
|
A:HEM401
|
3.1
|
20.5
|
1.0
|
C1B
|
A:HEM401
|
3.1
|
24.8
|
1.0
|
C1A
|
A:HEM401
|
3.1
|
21.9
|
1.0
|
C4A
|
A:HEM401
|
3.2
|
23.3
|
1.0
|
CB
|
A:CYS347
|
3.4
|
21.7
|
1.0
|
CHA
|
A:HEM401
|
3.4
|
22.0
|
1.0
|
CHC
|
A:HEM401
|
3.4
|
21.6
|
1.0
|
CHD
|
A:HEM401
|
3.4
|
20.1
|
1.0
|
CHB
|
A:HEM401
|
3.5
|
23.8
|
1.0
|
CA
|
A:CYS347
|
4.0
|
23.9
|
1.0
|
O
|
A:ASN237
|
4.0
|
23.7
|
1.0
|
C3D
|
A:HEM401
|
4.2
|
22.1
|
1.0
|
C2D
|
A:HEM401
|
4.2
|
21.6
|
1.0
|
C3B
|
A:HEM401
|
4.3
|
23.6
|
1.0
|
C2B
|
A:HEM401
|
4.3
|
24.9
|
1.0
|
C3C
|
A:HEM401
|
4.3
|
20.5
|
1.0
|
C2C
|
A:HEM401
|
4.3
|
19.7
|
1.0
|
C2A
|
A:HEM401
|
4.4
|
24.2
|
1.0
|
C3A
|
A:HEM401
|
4.4
|
22.4
|
1.0
|
CB
|
A:ASN237
|
4.4
|
27.4
|
1.0
|
ND2
|
A:ASN237
|
4.6
|
30.3
|
1.0
|
C
|
A:CYS347
|
4.6
|
24.3
|
1.0
|
O
|
A:HOH640
|
4.6
|
36.6
|
1.0
|
N
|
A:GLY349
|
4.7
|
24.7
|
1.0
|
N
|
A:LEU348
|
4.7
|
25.3
|
1.0
|
C
|
A:ASN237
|
4.7
|
24.9
|
1.0
|
CG
|
A:ASN237
|
5.0
|
28.1
|
1.0
|
|
Iron binding site 2 out
of 4 in 5z9j
Go back to
Iron Binding Sites List in 5z9j
Iron binding site 2 out
of 4 in the Identification of the Functions of Unusual Cytochrome P450-Like Monooxygenases Involved in Microbial Secondary Metablism
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Identification of the Functions of Unusual Cytochrome P450-Like Monooxygenases Involved in Microbial Secondary Metablism within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe401
b:35.6
occ:1.00
|
FE
|
B:HEM401
|
0.0
|
35.6
|
1.0
|
NC
|
B:HEM401
|
1.9
|
27.5
|
1.0
|
ND
|
B:HEM401
|
2.0
|
22.8
|
1.0
|
NB
|
B:HEM401
|
2.1
|
25.6
|
1.0
|
O
|
B:HOH526
|
2.1
|
43.5
|
1.0
|
NA
|
B:HEM401
|
2.2
|
22.3
|
1.0
|
SG
|
B:CYS347
|
2.5
|
33.4
|
1.0
|
C4C
|
B:HEM401
|
2.8
|
23.9
|
1.0
|
C1D
|
B:HEM401
|
2.9
|
22.4
|
1.0
|
C1C
|
B:HEM401
|
3.1
|
28.3
|
1.0
|
C4B
|
B:HEM401
|
3.1
|
25.6
|
1.0
|
C4D
|
B:HEM401
|
3.1
|
22.8
|
1.0
|
C1B
|
B:HEM401
|
3.1
|
25.2
|
1.0
|
CHD
|
B:HEM401
|
3.1
|
22.9
|
1.0
|
C1A
|
B:HEM401
|
3.1
|
22.6
|
1.0
|
C4A
|
B:HEM401
|
3.2
|
23.6
|
1.0
|
CB
|
B:CYS347
|
3.4
|
23.4
|
1.0
|
CHC
|
B:HEM401
|
3.5
|
27.6
|
1.0
|
CHA
|
B:HEM401
|
3.5
|
24.3
|
1.0
|
CHB
|
B:HEM401
|
3.5
|
25.4
|
1.0
|
CA
|
B:CYS347
|
4.0
|
26.7
|
1.0
|
C3C
|
B:HEM401
|
4.1
|
26.5
|
1.0
|
O
|
B:ASN237
|
4.1
|
32.1
|
1.0
|
C2D
|
B:HEM401
|
4.2
|
23.7
|
1.0
|
C2C
|
B:HEM401
|
4.2
|
28.7
|
1.0
|
C3D
|
B:HEM401
|
4.3
|
24.5
|
1.0
|
C3B
|
B:HEM401
|
4.3
|
25.9
|
1.0
|
C2B
|
B:HEM401
|
4.3
|
25.5
|
1.0
|
C2A
|
B:HEM401
|
4.4
|
24.6
|
1.0
|
C3A
|
B:HEM401
|
4.4
|
23.3
|
1.0
|
CB
|
B:ASN237
|
4.5
|
32.9
|
1.0
|
ND2
|
B:ASN237
|
4.6
|
34.4
|
1.0
|
N
|
B:GLY349
|
4.6
|
30.2
|
1.0
|
C
|
B:CYS347
|
4.6
|
26.9
|
1.0
|
N
|
B:LEU348
|
4.6
|
28.8
|
1.0
|
C
|
B:ASN237
|
4.8
|
34.0
|
1.0
|
|
Iron binding site 3 out
of 4 in 5z9j
Go back to
Iron Binding Sites List in 5z9j
Iron binding site 3 out
of 4 in the Identification of the Functions of Unusual Cytochrome P450-Like Monooxygenases Involved in Microbial Secondary Metablism
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Identification of the Functions of Unusual Cytochrome P450-Like Monooxygenases Involved in Microbial Secondary Metablism within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe401
b:33.1
occ:1.00
|
FE
|
C:HEM401
|
0.0
|
33.1
|
1.0
|
NB
|
C:HEM401
|
1.9
|
27.9
|
1.0
|
ND
|
C:HEM401
|
2.0
|
26.7
|
1.0
|
NA
|
C:HEM401
|
2.0
|
22.6
|
1.0
|
NC
|
C:HEM401
|
2.0
|
26.6
|
1.0
|
SG
|
C:CYS347
|
2.6
|
40.8
|
1.0
|
C4B
|
C:HEM401
|
2.9
|
26.5
|
1.0
|
C1B
|
C:HEM401
|
2.9
|
27.3
|
1.0
|
C4D
|
C:HEM401
|
3.0
|
25.2
|
1.0
|
C1C
|
C:HEM401
|
3.0
|
27.0
|
1.0
|
C1D
|
C:HEM401
|
3.0
|
27.9
|
1.0
|
C1A
|
C:HEM401
|
3.1
|
21.4
|
1.0
|
C4A
|
C:HEM401
|
3.1
|
24.9
|
1.0
|
C4C
|
C:HEM401
|
3.1
|
28.4
|
1.0
|
CHC
|
C:HEM401
|
3.3
|
27.1
|
1.0
|
CHA
|
C:HEM401
|
3.4
|
24.3
|
1.0
|
CHB
|
C:HEM401
|
3.4
|
28.1
|
1.0
|
CB
|
C:CYS347
|
3.5
|
32.3
|
1.0
|
CHD
|
C:HEM401
|
3.5
|
29.6
|
1.0
|
O
|
C:ASN237
|
4.0
|
32.1
|
1.0
|
CA
|
C:CYS347
|
4.0
|
35.3
|
1.0
|
C3B
|
C:HEM401
|
4.1
|
25.4
|
1.0
|
C2B
|
C:HEM401
|
4.1
|
25.6
|
1.0
|
C3D
|
C:HEM401
|
4.3
|
26.6
|
1.0
|
C2D
|
C:HEM401
|
4.3
|
26.3
|
1.0
|
CB
|
C:ASN237
|
4.3
|
33.3
|
1.0
|
C2C
|
C:HEM401
|
4.3
|
28.3
|
1.0
|
C2A
|
C:HEM401
|
4.3
|
22.4
|
1.0
|
C3C
|
C:HEM401
|
4.3
|
28.1
|
1.0
|
C3A
|
C:HEM401
|
4.3
|
22.1
|
1.0
|
ND2
|
C:ASN237
|
4.5
|
33.3
|
1.0
|
C
|
C:CYS347
|
4.6
|
36.3
|
1.0
|
N
|
C:LEU348
|
4.6
|
37.2
|
1.0
|
N
|
C:GLY349
|
4.6
|
36.6
|
1.0
|
C
|
C:ASN237
|
4.7
|
31.2
|
1.0
|
CG
|
C:ASN237
|
4.8
|
32.9
|
1.0
|
|
Iron binding site 4 out
of 4 in 5z9j
Go back to
Iron Binding Sites List in 5z9j
Iron binding site 4 out
of 4 in the Identification of the Functions of Unusual Cytochrome P450-Like Monooxygenases Involved in Microbial Secondary Metablism
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Identification of the Functions of Unusual Cytochrome P450-Like Monooxygenases Involved in Microbial Secondary Metablism within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe401
b:21.7
occ:1.00
|
FE
|
D:HEM401
|
0.0
|
21.7
|
1.0
|
NB
|
D:HEM401
|
1.9
|
16.8
|
1.0
|
NA
|
D:HEM401
|
1.9
|
17.2
|
1.0
|
ND
|
D:HEM401
|
2.1
|
19.4
|
1.0
|
NC
|
D:HEM401
|
2.1
|
21.8
|
1.0
|
SG
|
D:CYS347
|
2.5
|
26.4
|
1.0
|
C1B
|
D:HEM401
|
2.9
|
14.9
|
1.0
|
O
|
D:HOH596
|
2.9
|
68.8
|
1.0
|
C4A
|
D:HEM401
|
2.9
|
16.1
|
1.0
|
C4B
|
D:HEM401
|
3.0
|
17.7
|
1.0
|
C1A
|
D:HEM401
|
3.0
|
16.1
|
1.0
|
C4D
|
D:HEM401
|
3.1
|
16.6
|
1.0
|
C4C
|
D:HEM401
|
3.1
|
22.4
|
1.0
|
C1D
|
D:HEM401
|
3.1
|
20.6
|
1.0
|
C1C
|
D:HEM401
|
3.1
|
20.7
|
1.0
|
CHB
|
D:HEM401
|
3.2
|
14.4
|
1.0
|
CB
|
D:CYS347
|
3.4
|
18.3
|
1.0
|
CHC
|
D:HEM401
|
3.4
|
19.1
|
1.0
|
CHA
|
D:HEM401
|
3.4
|
17.1
|
1.0
|
CHD
|
D:HEM401
|
3.5
|
21.9
|
1.0
|
CA
|
D:CYS347
|
3.9
|
20.6
|
1.0
|
C2B
|
D:HEM401
|
4.1
|
16.3
|
1.0
|
C3B
|
D:HEM401
|
4.1
|
19.0
|
1.0
|
C2A
|
D:HEM401
|
4.2
|
17.1
|
1.0
|
C3A
|
D:HEM401
|
4.2
|
17.2
|
1.0
|
O
|
D:ASN237
|
4.3
|
26.4
|
1.0
|
C3C
|
D:HEM401
|
4.4
|
23.4
|
1.0
|
C2C
|
D:HEM401
|
4.4
|
23.7
|
1.0
|
C3D
|
D:HEM401
|
4.4
|
16.9
|
1.0
|
C2D
|
D:HEM401
|
4.4
|
20.8
|
1.0
|
O
|
D:HOH569
|
4.5
|
52.7
|
1.0
|
ND2
|
D:ASN237
|
4.6
|
29.0
|
1.0
|
CB
|
D:ASN237
|
4.6
|
24.9
|
1.0
|
N
|
D:LEU348
|
4.6
|
25.4
|
1.0
|
C
|
D:CYS347
|
4.6
|
23.5
|
1.0
|
N
|
D:GLY349
|
4.7
|
25.6
|
1.0
|
C
|
D:ASN237
|
4.9
|
25.1
|
1.0
|
|
Reference:
M.Lu,
L.Lin,
C.Zhang,
Y.Chen.
Identification of the Functions of Unusual Cytochrome P450-Like Monooxygenases Involved in Microbial Secondary Metablism To Be Published.
Page generated: Tue Aug 6 13:02:19 2024
|