Iron in PDB 3tzo: The Role of I87 of CYP158A2 in Oxidative Coupling Reaction
Protein crystallography data
The structure of The Role of I87 of CYP158A2 in Oxidative Coupling Reaction, PDB code: 3tzo
was solved by
B.Zhao,
M.R.Waterman,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
40.00 /
1.76
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
59.609,
79.313,
87.658,
90.00,
94.08,
90.00
|
R / Rfree (%)
|
21.7 /
26.4
|
Iron Binding Sites:
The binding sites of Iron atom in the The Role of I87 of CYP158A2 in Oxidative Coupling Reaction
(pdb code 3tzo). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the
The Role of I87 of CYP158A2 in Oxidative Coupling Reaction, PDB code: 3tzo:
Jump to Iron binding site number:
1;
2;
Iron binding site 1 out
of 2 in 3tzo
Go back to
Iron Binding Sites List in 3tzo
Iron binding site 1 out
of 2 in the The Role of I87 of CYP158A2 in Oxidative Coupling Reaction
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of The Role of I87 of CYP158A2 in Oxidative Coupling Reaction within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe430
b:6.5
occ:1.00
|
FE
|
A:HEM430
|
0.0
|
6.5
|
1.0
|
ND
|
A:HEM430
|
2.0
|
8.9
|
1.0
|
NC
|
A:HEM430
|
2.0
|
1.0
|
1.0
|
NB
|
A:HEM430
|
2.0
|
10.3
|
1.0
|
NA
|
A:HEM430
|
2.0
|
3.9
|
1.0
|
O
|
A:HOH668
|
2.2
|
7.6
|
1.0
|
SG
|
A:CYS353
|
2.4
|
7.8
|
1.0
|
C1C
|
A:HEM430
|
3.0
|
1.6
|
1.0
|
C4D
|
A:HEM430
|
3.0
|
8.5
|
1.0
|
C1D
|
A:HEM430
|
3.0
|
7.4
|
1.0
|
C4C
|
A:HEM430
|
3.1
|
4.6
|
1.0
|
C1B
|
A:HEM430
|
3.1
|
7.2
|
1.0
|
C1A
|
A:HEM430
|
3.1
|
11.3
|
1.0
|
C4A
|
A:HEM430
|
3.1
|
7.7
|
1.0
|
C4B
|
A:HEM430
|
3.1
|
10.2
|
1.0
|
CB
|
A:CYS353
|
3.3
|
9.6
|
1.0
|
CHD
|
A:HEM430
|
3.4
|
7.2
|
1.0
|
CHA
|
A:HEM430
|
3.4
|
8.4
|
1.0
|
CHB
|
A:HEM430
|
3.4
|
9.1
|
1.0
|
CHC
|
A:HEM430
|
3.4
|
6.9
|
1.0
|
O
|
A:HOH654
|
4.1
|
22.8
|
1.0
|
O
|
A:HOH537
|
4.1
|
12.0
|
1.0
|
CA
|
A:CYS353
|
4.3
|
1.7
|
1.0
|
C2D
|
A:HEM430
|
4.3
|
9.3
|
1.0
|
C3D
|
A:HEM430
|
4.3
|
1.0
|
1.0
|
C2C
|
A:HEM430
|
4.3
|
5.8
|
1.0
|
C3C
|
A:HEM430
|
4.3
|
3.5
|
1.0
|
C3A
|
A:HEM430
|
4.3
|
4.6
|
1.0
|
C2A
|
A:HEM430
|
4.3
|
7.6
|
1.0
|
C2B
|
A:HEM430
|
4.3
|
8.4
|
1.0
|
C3B
|
A:HEM430
|
4.3
|
5.7
|
1.0
|
O
|
A:HOH538
|
4.4
|
13.1
|
1.0
|
|
Iron binding site 2 out
of 2 in 3tzo
Go back to
Iron Binding Sites List in 3tzo
Iron binding site 2 out
of 2 in the The Role of I87 of CYP158A2 in Oxidative Coupling Reaction
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of The Role of I87 of CYP158A2 in Oxidative Coupling Reaction within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe430
b:6.8
occ:1.00
|
FE
|
B:HEM430
|
0.0
|
6.8
|
1.0
|
ND
|
B:HEM430
|
2.0
|
6.0
|
1.0
|
NC
|
B:HEM430
|
2.0
|
6.0
|
1.0
|
NB
|
B:HEM430
|
2.0
|
9.2
|
1.0
|
NA
|
B:HEM430
|
2.0
|
6.4
|
1.0
|
O
|
B:HOH718
|
2.3
|
9.4
|
1.0
|
SG
|
B:CYS353
|
2.4
|
7.2
|
1.0
|
C4D
|
B:HEM430
|
3.0
|
4.8
|
1.0
|
C1D
|
B:HEM430
|
3.0
|
8.0
|
1.0
|
C1C
|
B:HEM430
|
3.0
|
4.0
|
1.0
|
C4C
|
B:HEM430
|
3.0
|
2.1
|
1.0
|
C1B
|
B:HEM430
|
3.1
|
2.6
|
1.0
|
C1A
|
B:HEM430
|
3.1
|
9.1
|
1.0
|
C4A
|
B:HEM430
|
3.1
|
6.4
|
1.0
|
C4B
|
B:HEM430
|
3.1
|
6.5
|
1.0
|
CB
|
B:CYS353
|
3.3
|
1.8
|
1.0
|
CHD
|
B:HEM430
|
3.4
|
14.4
|
1.0
|
CHA
|
B:HEM430
|
3.4
|
8.0
|
1.0
|
CHB
|
B:HEM430
|
3.4
|
4.7
|
1.0
|
CHC
|
B:HEM430
|
3.4
|
1.0
|
1.0
|
O
|
B:HOH535
|
4.0
|
9.7
|
1.0
|
O
|
B:HOH496
|
4.2
|
25.0
|
1.0
|
C2D
|
B:HEM430
|
4.3
|
6.3
|
1.0
|
CA
|
B:CYS353
|
4.3
|
8.4
|
1.0
|
C3D
|
B:HEM430
|
4.3
|
1.0
|
1.0
|
C2C
|
B:HEM430
|
4.3
|
4.0
|
1.0
|
C3C
|
B:HEM430
|
4.3
|
1.3
|
1.0
|
C3A
|
B:HEM430
|
4.3
|
11.0
|
1.0
|
C3B
|
B:HEM430
|
4.3
|
5.2
|
1.0
|
C2A
|
B:HEM430
|
4.3
|
9.9
|
1.0
|
C2B
|
B:HEM430
|
4.3
|
1.0
|
1.0
|
O
|
B:HOH536
|
4.3
|
13.4
|
1.0
|
C
|
B:CYS353
|
5.0
|
6.6
|
1.0
|
|
Reference:
B.Zhao,
A.Bellamine,
L.Lei,
M.R.Waterman.
The Role of ILE87 of CYP158A2 in Oxidative Coupling Reaction. Arch.Biochem.Biophys. V. 518 127 2012.
ISSN: ISSN 0003-9861
PubMed: 22203090
DOI: 10.1016/J.ABB.2011.12.007
Page generated: Sun Dec 13 15:22:47 2020
|