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Iron 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:

Potassium (K) 4 atoms
Chlorine (Cl) 9 atoms

Iron Binding Sites:

The binding sites of Iron 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 Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene, PDB code: 1j51:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1j51

Go back to Iron Binding Sites List in 1j51
Iron binding site 1 out of 4 in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene


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 Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe417

b:15.0
occ:1.00
 FE A:HEM417 0.0 15.0 1.0
NB A:HEM417 2.0 14.1 1.0
NC A:HEM417 2.0 14.8 1.0
NA A:HEM417 2.0 12.7 1.0
ND A:HEM417 2.1 14.6 1.0
SG A:CYS357 2.2 14.0 1.0
C4B A:HEM417 3.0 14.5 1.0
C4C A:HEM417 3.1 15.5 1.0
C1B A:HEM417 3.1 12.7 1.0
C1D A:HEM417 3.1 15.9 1.0
C4A A:HEM417 3.1 11.9 1.0
C4D A:HEM417 3.1 14.5 1.0
C1C A:HEM417 3.1 14.3 1.0
C1A A:HEM417 3.1 12.7 1.0
CB A:CYS357 3.2 16.1 1.0
CHC A:HEM417 3.4 13.5 1.0
CHD A:HEM417 3.5 15.4 1.0
CHB A:HEM417 3.5 10.3 1.0
CHA A:HEM417 3.5 14.2 1.0
C2 A:TCZ1450 4.0 29.5 1.0
CA A:CYS357 4.0 15.8 1.0
C3B A:HEM417 4.3 15.3 1.0
C2B A:HEM417 4.3 13.9 1.0
C3D A:HEM417 4.3 16.0 1.0
C3C A:HEM417 4.3 16.9 1.0
C2C A:HEM417 4.3 15.6 1.0
C2D A:HEM417 4.3 16.9 1.0
C2A A:HEM417 4.3 11.6 1.0
C3A A:HEM417 4.3 11.1 1.0
N A:GLY359 4.5 15.8 1.0
C A:CYS357 4.6 16.3 1.0
C3 A:TCZ1450 4.7 29.8 1.0
CL3 A:TCZ1450 4.7 30.2 1.0
C1 A:TCZ1450 4.7 26.5 1.0
N A:LEU358 4.8 15.4 1.0
CL1 A:TCZ1450 4.8 27.7 1.0
CA A:GLY359 4.9 17.8 1.0
CG2 A:THR252 4.9 18.4 1.0

Iron binding site 2 out of 4 in 1j51

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Iron binding site 2 out of 4 in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene


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 Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe417

b:18.6
occ:1.00
 FE B:HEM417 0.0 18.6 1.0
NC B:HEM417 2.0 16.2 1.0
NA B:HEM417 2.1 18.2 1.0
NB B:HEM417 2.1 16.7 1.0
SG B:CYS357 2.1 18.9 1.0
ND B:HEM417 2.1 16.7 1.0
C4B B:HEM417 3.1 16.8 1.0
C1D B:HEM417 3.1 17.4 1.0
C1C B:HEM417 3.1 15.1 1.0
C4C B:HEM417 3.1 16.0 1.0
C4A B:HEM417 3.1 17.2 1.0
C4D B:HEM417 3.1 16.4 1.0
C1B B:HEM417 3.1 17.7 1.0
C1A B:HEM417 3.1 15.1 1.0
CB B:CYS357 3.3 18.8 1.0
CHC B:HEM417 3.4 14.3 1.0
CHD B:HEM417 3.5 14.9 1.0
CHA B:HEM417 3.5 16.6 1.0
CHB B:HEM417 3.5 15.8 1.0
C2 B:TCZ2450 3.9 31.1 1.0
CA B:CYS357 4.0 17.4 1.0
C2C B:HEM417 4.3 17.2 1.0
C3C B:HEM417 4.3 16.4 1.0
C3B B:HEM417 4.3 17.2 1.0
C3D B:HEM417 4.3 16.9 1.0
C2D B:HEM417 4.3 18.6 1.0
C3A B:HEM417 4.3 17.7 1.0
C2B B:HEM417 4.3 17.6 1.0
C2A B:HEM417 4.4 17.3 1.0
N B:GLY359 4.5 16.9 1.0
CL1 B:TCZ2450 4.6 32.5 1.0
C1 B:TCZ2450 4.6 31.5 1.0
C B:CYS357 4.6 17.6 1.0
C3 B:TCZ2450 4.7 31.7 1.0
CL3 B:TCZ2450 4.7 33.8 1.0
N B:LEU358 4.8 16.6 1.0
CA B:GLY359 4.9 17.9 1.0

Iron binding site 3 out of 4 in 1j51

Go back to Iron Binding Sites List in 1j51
Iron binding site 3 out of 4 in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene


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 Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe417

b:17.3
occ:1.00
 FE C:HEM417 0.0 17.3 1.0
NA C:HEM417 2.0 16.1 1.0
NB C:HEM417 2.0 17.3 1.0
NC C:HEM417 2.1 19.2 1.0
ND C:HEM417 2.1 16.8 1.0
SG C:CYS357 2.2 13.3 1.0
C4A C:HEM417 3.0 15.3 1.0
C4B C:HEM417 3.0 17.3 1.0
C1D C:HEM417 3.1 18.4 1.0
C1B C:HEM417 3.1 16.4 1.0
C4D C:HEM417 3.1 15.6 1.0
C4C C:HEM417 3.1 20.0 1.0
C1C C:HEM417 3.1 18.6 1.0
C1A C:HEM417 3.1 13.8 1.0
CB C:CYS357 3.1 13.9 1.0
CHC C:HEM417 3.4 17.0 1.0
CHB C:HEM417 3.5 14.5 1.0
CHD C:HEM417 3.5 19.6 1.0
CHA C:HEM417 3.5 12.5 1.0
CA C:CYS357 3.9 14.0 1.0
C6 C:TCZ3450 4.2 30.1 1.0
C3B C:HEM417 4.3 17.1 1.0
C3D C:HEM417 4.3 16.0 1.0
C2B C:HEM417 4.3 16.2 1.0
C3A C:HEM417 4.3 14.4 1.0
C2D C:HEM417 4.3 16.7 1.0
C2A C:HEM417 4.3 13.9 1.0
C2C C:HEM417 4.3 19.4 1.0
C3C C:HEM417 4.3 21.6 1.0
N C:GLY359 4.5 17.6 1.0
C C:CYS357 4.6 15.2 1.0
C1 C:TCZ3450 4.7 30.5 1.0
CL1 C:TCZ3450 4.7 28.9 1.0
N C:LEU358 4.8 14.6 1.0
C5 C:TCZ3450 4.8 27.3 1.0
CA C:GLY359 4.9 16.3 1.0

Iron binding site 4 out of 4 in 1j51

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Iron binding site 4 out of 4 in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene


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 Cytochrome P450CAM Mutant (F87W/Y96F/V247L/C334A) with 1,3,5-Trichlorobenzene within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe417

b:20.0
occ:1.00
 FE D:HEM417 0.0 20.0 1.0
NA D:HEM417 2.0 18.6 1.0
NC D:HEM417 2.0 15.3 1.0
NB D:HEM417 2.0 18.4 1.0
ND D:HEM417 2.1 17.8 1.0
SG D:CYS357 2.1 20.3 1.0
O D:HOH4464 3.0 25.4 1.0
C4B D:HEM417 3.1 16.7 1.0
C4A D:HEM417 3.1 18.6 1.0
C1C D:HEM417 3.1 13.8 1.0
C4C D:HEM417 3.1 14.7 1.0
C1D D:HEM417 3.1 18.3 1.0
C4D D:HEM417 3.1 18.6 1.0
C1B D:HEM417 3.1 19.4 1.0
C1A D:HEM417 3.1 17.6 1.0
CB D:CYS357 3.1 19.9 1.0
CHC D:HEM417 3.4 14.0 1.0
CHA D:HEM417 3.5 17.6 1.0
CHD D:HEM417 3.5 14.9 1.0
CHB D:HEM417 3.5 18.3 1.0
CA D:CYS357 3.9 18.8 1.0
C2C D:HEM417 4.3 13.7 1.0
C2A D:HEM417 4.3 17.9 1.0
C3B D:HEM417 4.3 18.3 1.0
C3A D:HEM417 4.3 19.1 1.0
C3D D:HEM417 4.3 18.4 1.0
C3C D:HEM417 4.3 11.7 1.0
C2B D:HEM417 4.3 18.9 1.0
C2D D:HEM417 4.3 18.6 1.0
N D:GLY359 4.6 19.1 1.0
C D:CYS357 4.6 19.2 1.0
N D:LEU358 4.8 19.3 1.0
O D:HOH4463 5.0 32.2 1.0
CA D:GLY359 5.0 17.7 1.0
N D:CYS357 5.0 20.1 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: Sat Aug 3 08:23:05 2024

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