Atomistry » Chlorine » PDB 1iqj-1jfh » 1j51
Atomistry »
  Chlorine »
    PDB 1iqj-1jfh »
      1j51 »

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:

Potassium (K) 4 atoms
Iron (Fe) 4 atoms

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


Mono view


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

Go back to 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


Mono view


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


Mono view


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


Mono view


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


Mono view


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


Mono view


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


Mono view


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


Mono view


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


Mono view


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

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy