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Chlorine in PDB 2q6n: Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole

Enzymatic activity of Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole

All present enzymatic activity of Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole:
1.14.14.1;

Protein crystallography data

The structure of Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole, PDB code: 2q6n was solved by Y.Zhao, L.Sun, B.K.Muralidhara, S.Kumar, M.A.White, C.D.Stout, J.R.Halpert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 3.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 140.000, 147.310, 238.490, 90.00, 90.00, 90.00
R / Rfree (%) 23.3 / 31.1

Other elements in 2q6n:

The structure of Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole also contains other interesting chemical elements:

Iron (Fe) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole (pdb code 2q6n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole, PDB code: 2q6n:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 2q6n

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Chlorine binding site 1 out of 7 in the Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:0.0
occ:1.00
 CL A:1CI501 0.0 0.0 1.0
C9 A:1CI501 1.7 0.0 1.0
C10 A:1CI501 2.7 0.0 1.0
C8 A:1CI501 2.7 0.0 1.0
CZ A:PHE115 3.7 84.3 1.0
CD1 A:ILE101 3.7 66.0 1.0
C11 A:1CI501 4.0 0.0 1.0
C7 A:1CI501 4.0 0.0 1.0
CE2 A:PHE115 4.0 84.3 1.0
CG2 A:VAL104 4.2 78.2 1.0
C6 A:1CI501 4.5 0.0 1.0
CG1 A:VAL104 4.6 78.2 1.0
CD1 A:ILE209 4.8 65.2 1.0
CG1 A:ILE101 4.8 66.0 1.0
CG2 A:ILE101 4.8 66.0 1.0
CE1 A:PHE115 4.9 84.3 1.0
CG2 A:ILE209 4.9 65.2 1.0
CB A:VAL104 4.9 78.2 1.0
CE2 A:PHE297 5.0 74.9 1.0
CB A:ILE101 5.0 66.0 1.0

Chlorine binding site 2 out of 7 in 2q6n

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Chlorine binding site 2 out of 7 in the Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:0.0
occ:1.00
 CL B:1CI501 0.0 0.0 1.0
C9 B:1CI501 1.7 0.0 1.0
C8 B:1CI501 2.7 0.0 1.0
C10 B:1CI501 2.7 0.0 1.0
CZ B:PHE115 3.9 87.2 1.0
CE2 B:PHE108 4.0 97.9 1.0
C7 B:1CI501 4.0 0.0 1.0
C11 B:1CI501 4.0 0.0 1.0
CE2 B:PHE115 4.0 87.2 1.0
CE2 B:PHE297 4.2 99.5 1.0
CG2 B:VAL104 4.3 60.8 1.0
CD2 B:PHE297 4.4 99.5 1.0
CG1 B:VAL104 4.5 60.8 1.0
C6 B:1CI501 4.5 0.0 1.0
CZ B:PHE108 4.6 97.9 1.0
CB B:VAL104 4.7 60.8 1.0
CD2 B:PHE108 4.9 97.9 1.0

Chlorine binding site 3 out of 7 in 2q6n

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Chlorine binding site 3 out of 7 in the Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:0.0
occ:1.00
 CL C:1CI501 0.0 0.0 1.0
C9 C:1CI501 1.7 0.0 1.0
C8 C:1CI501 2.7 0.0 1.0
C10 C:1CI501 2.7 0.0 1.0
CE2 C:PHE297 3.9 0.8 1.0
CD1 C:ILE209 3.9 74.8 1.0
CG2 C:VAL104 4.0 0.5 1.0
C7 C:1CI501 4.0 0.0 1.0
C11 C:1CI501 4.0 0.0 1.0
CD2 C:PHE297 4.3 0.8 1.0
CZ C:PHE115 4.3 0.5 1.0
CG1 C:VAL104 4.3 0.5 1.0
C6 C:1CI501 4.5 0.0 1.0
CB C:VAL104 4.6 0.5 1.0
CE2 C:PHE115 4.6 0.5 1.0
CG2 C:ILE209 4.9 74.8 1.0
CZ C:PHE297 5.0 0.8 1.0

Chlorine binding site 4 out of 7 in 2q6n

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Chlorine binding site 4 out of 7 in the Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:0.0
occ:1.00
 CL D:1CI501 0.0 0.0 1.0
C9 D:1CI501 1.7 0.0 1.0
C10 D:1CI501 2.7 0.0 1.0
C8 D:1CI501 2.7 0.0 1.0
CG2 D:VAL104 3.8 83.5 1.0
CZ D:PHE115 3.8 0.8 1.0
C11 D:1CI501 4.0 0.0 1.0
C7 D:1CI501 4.0 0.0 1.0
CE2 D:PHE115 4.1 0.8 1.0
CE2 D:PHE297 4.2 91.4 1.0
CD1 D:ILE209 4.2 65.5 1.0
C6 D:1CI501 4.5 0.0 1.0
CG1 D:VAL104 4.6 83.5 1.0
CB D:VAL104 4.7 83.5 1.0
CD2 D:PHE297 4.7 91.4 1.0

Chlorine binding site 5 out of 7 in 2q6n

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Chlorine binding site 5 out of 7 in the Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl501

b:0.0
occ:1.00
 CL E:1CI501 0.0 0.0 1.0
C9 E:1CI501 1.7 0.0 1.0
C10 E:1CI501 2.7 0.0 1.0
C8 E:1CI501 2.7 0.0 1.0
CZ E:PHE115 3.5 94.5 1.0
CE2 E:PHE115 3.9 94.5 1.0
C11 E:1CI501 4.0 0.0 1.0
C7 E:1CI501 4.0 0.0 1.0
CG1 E:ILE101 4.2 0.6 1.0
CG2 E:VAL104 4.3 0.5 1.0
C6 E:1CI501 4.5 0.0 1.0
CG2 E:ILE101 4.5 0.6 1.0
CB E:ILE101 4.6 0.6 1.0
CE1 E:PHE115 4.6 94.5 1.0
CG1 E:VAL104 4.6 0.5 1.0
CD1 E:ILE209 4.9 92.3 1.0

Chlorine binding site 6 out of 7 in 2q6n

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Chlorine binding site 6 out of 7 in the Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl501

b:0.0
occ:1.00
 CL F:1CI501 0.0 0.0 1.0
C9 F:1CI501 1.7 0.0 1.0
C10 F:1CI501 2.7 0.0 1.0
C8 F:1CI501 2.7 0.0 1.0
CZ F:PHE115 3.7 0.4 1.0
CE2 F:PHE115 4.0 0.4 1.0
C11 F:1CI501 4.0 0.0 1.0
C7 F:1CI501 4.0 0.0 1.0
CG1 F:VAL104 4.1 74.3 1.0
CG2 F:VAL104 4.3 74.3 1.0
CE2 F:PHE297 4.4 0.8 1.0
C6 F:1CI501 4.5 0.0 1.0
CB F:VAL104 4.6 74.3 1.0
CD1 F:ILE209 4.7 0.2 1.0
CE1 F:PHE115 4.9 0.4 1.0
CD2 F:PHE297 4.9 0.8 1.0

Chlorine binding site 7 out of 7 in 2q6n

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Chlorine binding site 7 out of 7 in the Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of Cytochrome P450 2B4 with Bound 1-(4- Cholorophenyl)Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl501

b:0.0
occ:1.00
 CL G:1CI501 0.0 0.0 1.0
C9 G:1CI501 1.7 0.0 1.0
C10 G:1CI501 2.7 0.0 1.0
C8 G:1CI501 2.7 0.0 1.0
C11 G:1CI501 4.0 0.0 1.0
C7 G:1CI501 4.0 0.0 1.0
CG2 G:VAL104 4.1 0.1 1.0
CE2 G:PHE297 4.2 0.7 1.0
CZ G:PHE115 4.3 0.6 1.0
CG2 G:ILE209 4.3 0.9 1.0
CG2 G:VAL477 4.4 0.9 1.0
CG1 G:ILE101 4.5 0.1 1.0
C6 G:1CI501 4.5 0.0 1.0
CD1 G:ILE209 4.6 0.9 1.0
CG1 G:VAL104 4.6 0.1 1.0
CG2 G:ILE101 4.7 0.1 1.0
CB G:VAL104 4.9 0.1 1.0
CZ G:PHE297 4.9 0.7 1.0
CG1 G:VAL477 4.9 0.9 1.0
CE1 G:PHE206 4.9 0.5 1.0
CB G:ILE101 4.9 0.1 1.0

Reference:

Y.Zhao, L.Sun, B.K.Muralidhara, S.Kumar, M.A.White, C.D.Stout, J.R.Halpert. Structural and Thermodynamic Consequences of 1-(4-Chlorophenyl)Imidazole Binding to Cytochrome P450 2B4. Biochemistry V. 46 11559 2007.
ISSN: ISSN 0006-2960
PubMed: 17887776
DOI: 10.1021/BI7011614
Page generated: Sat Jul 20 10:28:50 2024

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