Chlorine in PDB 1j51: Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene
Enzymatic activity of Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene
All present enzymatic activity of Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene:
1.14.15.1;
Protein crystallography data
The structure of Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene, PDB code: 1j51
was solved by
X.Chen,
A.Christopher,
J.Jones,
Q.Guo,
F.Xu,
R.Cao,
L.L.Wong,
Z.Rao,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.00 /
2.20
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
66.870,
62.440,
95.520,
89.98,
90.30,
90.09
|
R / Rfree (%)
|
18.6 /
25.8
|
Other elements in 1j51:
The structure of Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene
(pdb code 1j51). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the
Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene, PDB code: 1j51:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Chlorine binding site 1 out
of 9 in 1j51
Go back to
Chlorine Binding Sites List in 1j51
Chlorine binding site 1 out
of 9 in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene
![](/pictures/CL/pdb/j5/1j51-CL-sphere_01.jpg) Mono view
![](/pictures/CL/pdb/j5/1j51-CL-sphere_01_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1450
b:27.7
occ:1.00
|
CL1
|
A:TCZ1450
|
0.0
|
27.7
|
1.0
|
C1
|
A:TCZ1450
|
1.7
|
26.5
|
1.0
|
C6
|
A:TCZ1450
|
2.7
|
27.1
|
1.0
|
C2
|
A:TCZ1450
|
2.7
|
29.5
|
1.0
|
CG
|
A:LEU244
|
3.4
|
20.9
|
1.0
|
CA
|
A:GLY248
|
3.5
|
15.3
|
1.0
|
CD2
|
A:LEU244
|
3.5
|
19.6
|
1.0
|
C1D
|
A:HEM417
|
3.6
|
15.9
|
1.0
|
ND
|
A:HEM417
|
3.6
|
14.6
|
1.0
|
N
|
A:GLY248
|
3.6
|
16.1
|
1.0
|
CD1
|
A:LEU244
|
3.7
|
18.6
|
1.0
|
O
|
A:LEU244
|
3.7
|
16.9
|
1.0
|
C2D
|
A:HEM417
|
3.8
|
16.9
|
1.0
|
C4D
|
A:HEM417
|
3.8
|
14.5
|
1.0
|
C3D
|
A:HEM417
|
3.9
|
16.0
|
1.0
|
C3
|
A:TCZ1450
|
4.0
|
29.8
|
1.0
|
C5
|
A:TCZ1450
|
4.0
|
29.0
|
1.0
|
CHD
|
A:HEM417
|
4.1
|
15.4
|
1.0
|
C
|
A:LEU244
|
4.5
|
16.1
|
1.0
|
C4
|
A:TCZ1450
|
4.5
|
29.2
|
1.0
|
CHA
|
A:HEM417
|
4.5
|
14.2
|
1.0
|
C
|
A:LEU247
|
4.5
|
16.6
|
1.0
|
CMD
|
A:HEM417
|
4.6
|
17.3
|
1.0
|
C4C
|
A:HEM417
|
4.6
|
15.5
|
1.0
|
CAD
|
A:HEM417
|
4.8
|
13.8
|
1.0
|
CB
|
A:LEU244
|
4.8
|
18.7
|
1.0
|
FE
|
A:HEM417
|
4.8
|
15.0
|
1.0
|
NC
|
A:HEM417
|
4.8
|
14.8
|
1.0
|
CB
|
A:LEU247
|
4.9
|
16.6
|
1.0
|
OG1
|
A:THR101
|
4.9
|
17.8
|
1.0
|
C
|
A:GLY248
|
5.0
|
17.3
|
1.0
|
CG
|
A:LEU247
|
5.0
|
19.1
|
1.0
|
|
Chlorine binding site 2 out
of 9 in 1j51
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Chlorine Binding Sites List in 1j51
Chlorine binding site 2 out
of 9 in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene
![](/pictures/CL/pdb/j5/1j51-CL-sphere_02.jpg) Mono view
![](/pictures/CL/pdb/j5/1j51-CL-sphere_02_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1450
b:30.2
occ:1.00
|
CL3
|
A:TCZ1450
|
0.0
|
30.2
|
1.0
|
C3
|
A:TCZ1450
|
1.7
|
29.8
|
1.0
|
C2
|
A:TCZ1450
|
2.7
|
29.5
|
1.0
|
C4
|
A:TCZ1450
|
2.7
|
29.2
|
1.0
|
CG2
|
A:VAL295
|
3.3
|
11.6
|
1.0
|
CHB
|
A:HEM417
|
3.6
|
10.3
|
1.0
|
CG2
|
A:THR252
|
3.7
|
18.4
|
1.0
|
C4A
|
A:HEM417
|
3.7
|
11.9
|
1.0
|
C1B
|
A:HEM417
|
3.7
|
12.7
|
1.0
|
CG1
|
A:VAL295
|
3.9
|
9.8
|
1.0
|
NB
|
A:HEM417
|
3.9
|
14.1
|
1.0
|
C1
|
A:TCZ1450
|
4.0
|
26.5
|
1.0
|
C5
|
A:TCZ1450
|
4.0
|
29.0
|
1.0
|
NA
|
A:HEM417
|
4.1
|
12.7
|
1.0
|
CG2
|
A:VAL396
|
4.1
|
5.1
|
1.0
|
CB
|
A:VAL295
|
4.2
|
12.9
|
1.0
|
C3A
|
A:HEM417
|
4.4
|
11.1
|
1.0
|
C2B
|
A:HEM417
|
4.5
|
13.9
|
1.0
|
C6
|
A:TCZ1450
|
4.5
|
27.1
|
1.0
|
FE
|
A:HEM417
|
4.7
|
15.0
|
1.0
|
C4B
|
A:HEM417
|
4.7
|
14.5
|
1.0
|
C1A
|
A:HEM417
|
4.8
|
12.7
|
1.0
|
CB
|
A:THR252
|
4.8
|
17.5
|
1.0
|
CMA
|
A:HEM417
|
4.9
|
8.0
|
1.0
|
C2A
|
A:HEM417
|
5.0
|
11.6
|
1.0
|
|
Chlorine binding site 3 out
of 9 in 1j51
Go back to
Chlorine Binding Sites List in 1j51
Chlorine binding site 3 out
of 9 in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene
![](/pictures/CL/pdb/j5/1j51-CL-sphere_03.jpg) Mono view
![](/pictures/CL/pdb/j5/1j51-CL-sphere_03_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1450
b:29.8
occ:1.00
|
CL5
|
A:TCZ1450
|
0.0
|
29.8
|
1.0
|
C5
|
A:TCZ1450
|
1.7
|
29.0
|
1.0
|
C6
|
A:TCZ1450
|
2.7
|
27.1
|
1.0
|
C4
|
A:TCZ1450
|
2.7
|
29.2
|
1.0
|
NE1
|
A:TRP87
|
3.0
|
18.2
|
1.0
|
OD2
|
A:ASP297
|
3.4
|
13.1
|
1.0
|
CE2
|
A:TRP87
|
3.7
|
20.0
|
1.0
|
CZ2
|
A:TRP87
|
3.7
|
18.7
|
1.0
|
C1
|
A:TCZ1450
|
4.0
|
26.5
|
1.0
|
C3
|
A:TCZ1450
|
4.1
|
29.8
|
1.0
|
CZ
|
A:PHE96
|
4.1
|
14.0
|
1.0
|
CD1
|
A:TRP87
|
4.2
|
20.9
|
1.0
|
CG
|
A:ASP297
|
4.2
|
16.0
|
1.0
|
CE1
|
A:PHE96
|
4.2
|
11.7
|
1.0
|
CB
|
A:ASP297
|
4.3
|
13.3
|
1.0
|
CG2
|
A:THR101
|
4.4
|
16.1
|
1.0
|
CG2
|
A:ILE395
|
4.5
|
10.8
|
1.0
|
C2
|
A:TCZ1450
|
4.6
|
29.5
|
1.0
|
CBA
|
A:HEM417
|
4.6
|
11.6
|
1.0
|
O2A
|
A:HEM417
|
4.7
|
13.1
|
1.0
|
|
Chlorine binding site 4 out
of 9 in 1j51
Go back to
Chlorine Binding Sites List in 1j51
Chlorine binding site 4 out
of 9 in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene
![](/pictures/CL/pdb/j5/1j51-CL-sphere_04.jpg) Mono view
![](/pictures/CL/pdb/j5/1j51-CL-sphere_04_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl2450
b:32.5
occ:1.00
|
CL1
|
B:TCZ2450
|
0.0
|
32.5
|
1.0
|
C1
|
B:TCZ2450
|
1.7
|
31.5
|
1.0
|
C6
|
B:TCZ2450
|
2.7
|
30.2
|
1.0
|
C2
|
B:TCZ2450
|
2.7
|
31.1
|
1.0
|
O
|
B:LEU247
|
3.2
|
25.2
|
1.0
|
C1D
|
B:HEM417
|
3.3
|
17.4
|
1.0
|
ND
|
B:HEM417
|
3.5
|
16.7
|
1.0
|
O
|
B:LEU244
|
3.5
|
13.7
|
1.0
|
CHD
|
B:HEM417
|
3.6
|
14.9
|
1.0
|
C2D
|
B:HEM417
|
3.7
|
18.6
|
1.0
|
CD1
|
B:LEU244
|
3.8
|
17.5
|
1.0
|
CA
|
B:GLY248
|
3.8
|
21.4
|
1.0
|
CG
|
B:LEU244
|
3.9
|
16.3
|
1.0
|
C4D
|
B:HEM417
|
3.9
|
16.4
|
1.0
|
C5
|
B:TCZ2450
|
4.0
|
31.3
|
1.0
|
C3
|
B:TCZ2450
|
4.0
|
31.7
|
1.0
|
C3D
|
B:HEM417
|
4.0
|
16.9
|
1.0
|
C4C
|
B:HEM417
|
4.1
|
16.0
|
1.0
|
C
|
B:LEU247
|
4.2
|
21.4
|
1.0
|
NC
|
B:HEM417
|
4.4
|
16.2
|
1.0
|
CMD
|
B:HEM417
|
4.4
|
17.9
|
1.0
|
CD2
|
B:LEU244
|
4.5
|
16.1
|
1.0
|
C
|
B:LEU244
|
4.5
|
15.6
|
1.0
|
C4
|
B:TCZ2450
|
4.5
|
32.0
|
1.0
|
N
|
B:GLY248
|
4.5
|
21.2
|
1.0
|
FE
|
B:HEM417
|
4.6
|
18.6
|
1.0
|
CHA
|
B:HEM417
|
4.7
|
16.6
|
1.0
|
|
Chlorine binding site 5 out
of 9 in 1j51
Go back to
Chlorine Binding Sites List in 1j51
Chlorine binding site 5 out
of 9 in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene
![](/pictures/CL/pdb/j5/1j51-CL-sphere_05.jpg) Mono view
![](/pictures/CL/pdb/j5/1j51-CL-sphere_05_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl2450
b:33.8
occ:1.00
|
CL3
|
B:TCZ2450
|
0.0
|
33.8
|
1.0
|
C3
|
B:TCZ2450
|
1.7
|
31.7
|
1.0
|
C2
|
B:TCZ2450
|
2.7
|
31.1
|
1.0
|
C4
|
B:TCZ2450
|
2.7
|
32.0
|
1.0
|
CG2
|
B:VAL295
|
3.4
|
14.8
|
1.0
|
CG1
|
B:VAL295
|
3.5
|
14.5
|
1.0
|
CHB
|
B:HEM417
|
3.6
|
15.8
|
1.0
|
C4A
|
B:HEM417
|
3.7
|
17.2
|
1.0
|
CG2
|
B:THR252
|
3.7
|
25.3
|
1.0
|
C1B
|
B:HEM417
|
3.8
|
17.7
|
1.0
|
CG2
|
B:VAL396
|
4.0
|
12.1
|
1.0
|
NB
|
B:HEM417
|
4.0
|
16.7
|
1.0
|
C1
|
B:TCZ2450
|
4.0
|
31.5
|
1.0
|
CB
|
B:VAL295
|
4.0
|
15.2
|
1.0
|
C5
|
B:TCZ2450
|
4.0
|
31.3
|
1.0
|
NA
|
B:HEM417
|
4.0
|
18.2
|
1.0
|
C3A
|
B:HEM417
|
4.2
|
17.7
|
1.0
|
C6
|
B:TCZ2450
|
4.5
|
30.2
|
1.0
|
C2B
|
B:HEM417
|
4.6
|
17.6
|
1.0
|
C1A
|
B:HEM417
|
4.7
|
15.1
|
1.0
|
FE
|
B:HEM417
|
4.7
|
18.6
|
1.0
|
CMA
|
B:HEM417
|
4.8
|
16.4
|
1.0
|
C2A
|
B:HEM417
|
4.8
|
17.3
|
1.0
|
C4B
|
B:HEM417
|
4.8
|
16.8
|
1.0
|
CB
|
B:THR252
|
4.9
|
24.8
|
1.0
|
|
Chlorine binding site 6 out
of 9 in 1j51
Go back to
Chlorine Binding Sites List in 1j51
Chlorine binding site 6 out
of 9 in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene
![](/pictures/CL/pdb/j5/1j51-CL-sphere_06.jpg) Mono view
![](/pictures/CL/pdb/j5/1j51-CL-sphere_06_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl2450
b:32.8
occ:1.00
|
CL5
|
B:TCZ2450
|
0.0
|
32.8
|
1.0
|
C5
|
B:TCZ2450
|
1.7
|
31.3
|
1.0
|
C6
|
B:TCZ2450
|
2.7
|
30.2
|
1.0
|
C4
|
B:TCZ2450
|
2.8
|
32.0
|
1.0
|
NE1
|
B:TRP87
|
3.2
|
25.2
|
1.0
|
CZ2
|
B:TRP87
|
3.3
|
26.2
|
1.0
|
CE2
|
B:TRP87
|
3.6
|
27.2
|
1.0
|
CE1
|
B:PHE96
|
3.6
|
19.8
|
1.0
|
CZ
|
B:PHE96
|
3.8
|
20.1
|
1.0
|
C1
|
B:TCZ2450
|
4.0
|
31.5
|
1.0
|
C3
|
B:TCZ2450
|
4.1
|
31.7
|
1.0
|
CD2
|
B:LEU247
|
4.1
|
22.6
|
1.0
|
CH2
|
B:TRP87
|
4.5
|
29.4
|
1.0
|
CD1
|
B:TRP87
|
4.5
|
27.4
|
1.0
|
C2
|
B:TCZ2450
|
4.6
|
31.1
|
1.0
|
CD1
|
B:LEU244
|
4.7
|
17.5
|
1.0
|
OD2
|
B:ASP297
|
4.8
|
14.3
|
1.0
|
CG2
|
B:THR101
|
4.8
|
13.6
|
1.0
|
CD1
|
B:PHE96
|
4.9
|
21.4
|
1.0
|
CG2
|
B:ILE395
|
4.9
|
16.3
|
1.0
|
CD2
|
B:TRP87
|
5.0
|
26.1
|
1.0
|
|
Chlorine binding site 7 out
of 9 in 1j51
Go back to
Chlorine Binding Sites List in 1j51
Chlorine binding site 7 out
of 9 in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene
![](/pictures/CL/pdb/j5/1j51-CL-sphere_07.jpg) Mono view
![](/pictures/CL/pdb/j5/1j51-CL-sphere_07_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl3450
b:28.9
occ:1.00
|
CL1
|
C:TCZ3450
|
0.0
|
28.9
|
1.0
|
C1
|
C:TCZ3450
|
1.7
|
30.5
|
1.0
|
C6
|
C:TCZ3450
|
2.7
|
30.1
|
1.0
|
C2
|
C:TCZ3450
|
2.7
|
29.7
|
1.0
|
CG2
|
C:THR252
|
3.1
|
20.8
|
1.0
|
CG2
|
C:VAL295
|
3.2
|
12.7
|
1.0
|
CHB
|
C:HEM417
|
3.6
|
14.5
|
1.0
|
C1B
|
C:HEM417
|
3.7
|
16.4
|
1.0
|
C4A
|
C:HEM417
|
3.8
|
15.3
|
1.0
|
NB
|
C:HEM417
|
3.9
|
17.3
|
1.0
|
C5
|
C:TCZ3450
|
4.0
|
27.3
|
1.0
|
CG1
|
C:VAL295
|
4.0
|
11.5
|
1.0
|
C3
|
C:TCZ3450
|
4.0
|
29.8
|
1.0
|
CG2
|
C:VAL396
|
4.1
|
10.3
|
1.0
|
NA
|
C:HEM417
|
4.1
|
16.1
|
1.0
|
CB
|
C:VAL295
|
4.2
|
13.4
|
1.0
|
C3A
|
C:HEM417
|
4.4
|
14.4
|
1.0
|
CB
|
C:THR252
|
4.4
|
19.9
|
1.0
|
C2B
|
C:HEM417
|
4.5
|
16.2
|
1.0
|
C4
|
C:TCZ3450
|
4.5
|
27.9
|
1.0
|
C4B
|
C:HEM417
|
4.6
|
17.3
|
1.0
|
FE
|
C:HEM417
|
4.7
|
17.3
|
1.0
|
C1A
|
C:HEM417
|
4.8
|
13.8
|
1.0
|
CMA
|
C:HEM417
|
4.9
|
10.6
|
1.0
|
C3B
|
C:HEM417
|
5.0
|
17.1
|
1.0
|
|
Chlorine binding site 8 out
of 9 in 1j51
Go back to
Chlorine Binding Sites List in 1j51
Chlorine binding site 8 out
of 9 in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene
![](/pictures/CL/pdb/j5/1j51-CL-sphere_08.jpg) Mono view
![](/pictures/CL/pdb/j5/1j51-CL-sphere_08_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl3450
b:30.6
occ:1.00
|
CL3
|
C:TCZ3450
|
0.0
|
30.6
|
1.0
|
C3
|
C:TCZ3450
|
1.7
|
29.8
|
1.0
|
C4
|
C:TCZ3450
|
2.7
|
27.9
|
1.0
|
C2
|
C:TCZ3450
|
2.7
|
29.7
|
1.0
|
OD2
|
C:ASP297
|
3.0
|
12.4
|
1.0
|
NE1
|
C:TRP87
|
3.2
|
18.6
|
1.0
|
CG
|
C:ASP297
|
3.9
|
12.9
|
1.0
|
CE2
|
C:TRP87
|
4.0
|
19.6
|
1.0
|
C5
|
C:TCZ3450
|
4.0
|
27.3
|
1.0
|
C1
|
C:TCZ3450
|
4.0
|
30.5
|
1.0
|
CBA
|
C:HEM417
|
4.1
|
9.8
|
1.0
|
CZ2
|
C:TRP87
|
4.1
|
19.4
|
1.0
|
CG2
|
C:THR101
|
4.1
|
16.1
|
1.0
|
CD1
|
C:TRP87
|
4.3
|
20.8
|
1.0
|
O2A
|
C:HEM417
|
4.3
|
8.9
|
1.0
|
CB
|
C:ASP297
|
4.3
|
11.3
|
1.0
|
CZ
|
C:PHE96
|
4.4
|
13.9
|
1.0
|
C6
|
C:TCZ3450
|
4.6
|
30.1
|
1.0
|
CE1
|
C:PHE96
|
4.6
|
11.8
|
1.0
|
CG2
|
C:ILE395
|
4.9
|
12.1
|
1.0
|
CGA
|
C:HEM417
|
4.9
|
9.1
|
1.0
|
OD1
|
C:ASP297
|
4.9
|
14.5
|
1.0
|
|
Chlorine binding site 9 out
of 9 in 1j51
Go back to
Chlorine Binding Sites List in 1j51
Chlorine binding site 9 out
of 9 in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene
![](/pictures/CL/pdb/j5/1j51-CL-sphere_09.jpg) Mono view
![](/pictures/CL/pdb/j5/1j51-CL-sphere_09_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl3450
b:28.9
occ:1.00
|
CL5
|
C:TCZ3450
|
0.0
|
28.9
|
1.0
|
C5
|
C:TCZ3450
|
1.7
|
27.3
|
1.0
|
C6
|
C:TCZ3450
|
2.7
|
30.1
|
1.0
|
C4
|
C:TCZ3450
|
2.7
|
27.9
|
1.0
|
N
|
C:GLY248
|
3.3
|
17.3
|
1.0
|
O
|
C:LEU244
|
3.4
|
13.6
|
1.0
|
CA
|
C:GLY248
|
3.4
|
18.3
|
1.0
|
CD1
|
C:LEU244
|
3.4
|
16.0
|
1.0
|
CG
|
C:LEU244
|
3.5
|
18.6
|
1.0
|
C1D
|
C:HEM417
|
3.8
|
18.4
|
1.0
|
ND
|
C:HEM417
|
3.9
|
16.8
|
1.0
|
C1
|
C:TCZ3450
|
4.0
|
30.5
|
1.0
|
C3
|
C:TCZ3450
|
4.0
|
29.8
|
1.0
|
C2D
|
C:HEM417
|
4.1
|
16.7
|
1.0
|
CHD
|
C:HEM417
|
4.2
|
19.6
|
1.0
|
C4D
|
C:HEM417
|
4.2
|
15.6
|
1.0
|
C
|
C:LEU247
|
4.2
|
16.8
|
1.0
|
C
|
C:LEU244
|
4.2
|
14.8
|
1.0
|
C3D
|
C:HEM417
|
4.3
|
16.0
|
1.0
|
CD2
|
C:LEU244
|
4.3
|
19.9
|
1.0
|
CB
|
C:LEU247
|
4.4
|
15.1
|
1.0
|
C2
|
C:TCZ3450
|
4.6
|
29.7
|
1.0
|
CG
|
C:LEU247
|
4.6
|
16.6
|
1.0
|
C4C
|
C:HEM417
|
4.7
|
20.0
|
1.0
|
CMD
|
C:HEM417
|
4.7
|
17.6
|
1.0
|
CB
|
C:LEU244
|
4.7
|
16.9
|
1.0
|
CA
|
C:LEU244
|
4.8
|
14.7
|
1.0
|
CA
|
C:LEU247
|
4.9
|
15.2
|
1.0
|
CHA
|
C:HEM417
|
4.9
|
12.5
|
1.0
|
C
|
C:GLY248
|
4.9
|
20.5
|
1.0
|
NC
|
C:HEM417
|
4.9
|
19.2
|
1.0
|
O
|
C:LEU247
|
5.0
|
17.3
|
1.0
|
|
Reference:
X.Chen,
A.Christopher,
J.P.Jones,
S.G.Bell,
Q.Guo,
F.Xu,
Z.Rao,
L.L.Wong.
Crystal Structure of the F87W/Y96F/V247L Mutant of Cytochrome P-450CAM with 1,3,5-Trichlorobenzene Bound and Further Protein Engineering For the Oxidation of Pentachlorobenzene and Hexachlorobenzene J.Biol.Chem. V. 277 37519 2002.
ISSN: ISSN 0021-9258
PubMed: 12114516
DOI: 10.1074/JBC.M203762200
Page generated: Fri Jul 19 22:55:31 2024
|