Atomistry » Iron » PDB 2pgh-2q9u » 2q6n
Atomistry »
  Iron »
    PDB 2pgh-2q9u »
      2q6n »

Iron 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:

Chlorine (Cl) 7 atoms

Iron Binding Sites:

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

Iron binding site 1 out of 7 in 2q6n

Go back to Iron Binding Sites List in 2q6n
Iron 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 Iron with other atoms in the Fe 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:Fe500

b:78.8
occ:1.00
FE A:HEM500 0.0 78.8 1.0
NA A:HEM500 2.0 78.8 1.0
ND A:HEM500 2.1 78.8 1.0
NC A:HEM500 2.1 78.8 1.0
NB A:HEM500 2.1 78.8 1.0
N3 A:1CI501 2.1 0.0 1.0
SG A:CYS436 2.3 67.4 1.0
C1D A:HEM500 3.0 78.8 1.0
C1C A:HEM500 3.0 78.8 1.0
C4B A:HEM500 3.0 78.8 1.0
C4A A:HEM500 3.0 78.8 1.0
C1B A:HEM500 3.0 78.8 1.0
C4D A:HEM500 3.0 78.8 1.0
C4C A:HEM500 3.1 78.8 1.0
C1A A:HEM500 3.1 78.8 1.0
C4 A:1CI501 3.1 0.0 1.0
C2 A:1CI501 3.1 0.0 1.0
CHB A:HEM500 3.3 78.8 1.0
CHC A:HEM500 3.3 78.8 1.0
CHD A:HEM500 3.3 78.8 1.0
CHA A:HEM500 3.4 78.8 1.0
CB A:CYS436 3.4 67.4 1.0
CA A:CYS436 4.2 85.2 1.0
C2D A:HEM500 4.2 78.8 1.0
C2C A:HEM500 4.2 78.8 1.0
C3A A:HEM500 4.2 78.8 1.0
C5 A:1CI501 4.2 0.0 1.0
N1 A:1CI501 4.2 0.0 1.0
C2A A:HEM500 4.2 78.8 1.0
C3B A:HEM500 4.3 78.8 1.0
C3D A:HEM500 4.3 78.8 1.0
C3C A:HEM500 4.3 78.8 1.0
C2B A:HEM500 4.3 78.8 1.0
CB A:ALA298 4.7 39.1 1.0
C A:CYS436 4.9 85.2 1.0
N A:LEU437 5.0 92.4 1.0

Iron binding site 2 out of 7 in 2q6n

Go back to Iron Binding Sites List in 2q6n
Iron 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 Iron with other atoms in the Fe 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:Fe500

b:78.4
occ:1.00
FE B:HEM500 0.0 78.4 1.0
NB B:HEM500 2.0 78.4 1.0
NC B:HEM500 2.1 78.4 1.0
NA B:HEM500 2.1 78.4 1.0
ND B:HEM500 2.1 78.4 1.0
SG B:CYS436 2.3 70.2 1.0
N3 B:1CI501 2.7 0.0 1.0
C4B B:HEM500 3.0 78.4 1.0
C1C B:HEM500 3.0 78.4 1.0
C1D B:HEM500 3.0 78.4 1.0
C4A B:HEM500 3.0 78.4 1.0
C1B B:HEM500 3.0 78.4 1.0
C4C B:HEM500 3.1 78.4 1.0
C4D B:HEM500 3.1 78.4 1.0
C1A B:HEM500 3.1 78.4 1.0
CHC B:HEM500 3.3 78.4 1.0
CHB B:HEM500 3.3 78.4 1.0
CHD B:HEM500 3.3 78.4 1.0
CHA B:HEM500 3.4 78.4 1.0
CB B:CYS436 3.5 70.2 1.0
C4 B:1CI501 3.5 0.0 1.0
C2 B:1CI501 3.7 0.0 1.0
CA B:CYS436 4.1 92.4 1.0
C2C B:HEM500 4.2 78.4 1.0
C2D B:HEM500 4.2 78.4 1.0
C3B B:HEM500 4.2 78.4 1.0
C3A B:HEM500 4.3 78.4 1.0
C3C B:HEM500 4.3 78.4 1.0
C2B B:HEM500 4.3 78.4 1.0
C3D B:HEM500 4.3 78.4 1.0
C2A B:HEM500 4.3 78.4 1.0
C B:CYS436 4.7 92.4 1.0
C5 B:1CI501 4.7 0.0 1.0
N B:GLY438 4.7 80.1 1.0
N B:LEU437 4.8 91.8 1.0
N1 B:1CI501 4.8 0.0 1.0
OG1 B:THR302 4.9 0.8 1.0

Iron binding site 3 out of 7 in 2q6n

Go back to Iron Binding Sites List in 2q6n
Iron 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 Iron with other atoms in the Fe 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:Fe500

b:93.6
occ:1.00
FE C:HEM500 0.0 93.6 1.0
ND C:HEM500 2.1 93.6 1.0
NC C:HEM500 2.1 93.6 1.0
NA C:HEM500 2.1 93.6 1.0
NB C:HEM500 2.1 93.6 1.0
SG C:CYS436 2.5 0.6 1.0
N3 C:1CI501 2.5 0.0 1.0
C1D C:HEM500 3.0 93.6 1.0
C4 C:1CI501 3.0 0.0 1.0
C1C C:HEM500 3.0 93.6 1.0
C4B C:HEM500 3.0 93.6 1.0
C4D C:HEM500 3.0 93.6 1.0
C4A C:HEM500 3.0 93.6 1.0
C1B C:HEM500 3.0 93.6 1.0
C4C C:HEM500 3.1 93.6 1.0
C1A C:HEM500 3.1 93.6 1.0
CHC C:HEM500 3.3 93.6 1.0
CHD C:HEM500 3.3 93.6 1.0
CHB C:HEM500 3.3 93.6 1.0
CHA C:HEM500 3.4 93.6 1.0
CB C:CYS436 3.5 0.6 1.0
C2 C:1CI501 3.6 0.0 1.0
CA C:CYS436 4.2 0.4 1.0
C2D C:HEM500 4.2 93.6 1.0
C2C C:HEM500 4.2 93.6 1.0
C5 C:1CI501 4.2 0.0 1.0
C3A C:HEM500 4.3 93.6 1.0
C3D C:HEM500 4.3 93.6 1.0
C3B C:HEM500 4.3 93.6 1.0
C3C C:HEM500 4.3 93.6 1.0
C2B C:HEM500 4.3 93.6 1.0
C2A C:HEM500 4.3 93.6 1.0
N1 C:1CI501 4.5 0.0 1.0
CB C:ALA298 4.6 0.5 1.0
C C:CYS436 4.8 0.4 1.0
OG1 C:THR302 4.9 0.3 1.0
N C:GLY438 4.9 0.1 1.0
N C:LEU437 5.0 0.2 1.0
O C:ALA298 5.0 87.2 1.0

Iron binding site 4 out of 7 in 2q6n

Go back to Iron Binding Sites List in 2q6n
Iron 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 Iron with other atoms in the Fe 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:Fe500

b:0.6
occ:1.00
FE D:HEM500 0.0 0.6 1.0
ND D:HEM500 2.1 0.6 1.0
NA D:HEM500 2.1 0.6 1.0
NB D:HEM500 2.1 0.6 1.0
NC D:HEM500 2.1 0.6 1.0
SG D:CYS436 2.1 98.2 1.0
N3 D:1CI501 2.4 0.0 1.0
C4 D:1CI501 2.9 0.0 1.0
C1D D:HEM500 3.0 0.6 1.0
C1C D:HEM500 3.0 0.6 1.0
C4B D:HEM500 3.0 0.6 1.0
C4A D:HEM500 3.0 0.6 1.0
C1B D:HEM500 3.0 0.6 1.0
C4D D:HEM500 3.0 0.6 1.0
C4C D:HEM500 3.1 0.6 1.0
C1A D:HEM500 3.1 0.6 1.0
CHC D:HEM500 3.3 0.6 1.0
CHB D:HEM500 3.3 0.6 1.0
CHD D:HEM500 3.3 0.6 1.0
CHA D:HEM500 3.4 0.6 1.0
CB D:CYS436 3.4 98.2 1.0
C2 D:1CI501 3.6 0.0 1.0
C5 D:1CI501 4.2 0.0 1.0
CA D:CYS436 4.2 0.9 1.0
C2D D:HEM500 4.2 0.6 1.0
C2C D:HEM500 4.2 0.6 1.0
C3A D:HEM500 4.2 0.6 1.0
C3D D:HEM500 4.3 0.6 1.0
C3B D:HEM500 4.3 0.6 1.0
C3C D:HEM500 4.3 0.6 1.0
C2B D:HEM500 4.3 0.6 1.0
C2A D:HEM500 4.3 0.6 1.0
N1 D:1CI501 4.5 0.0 1.0
N D:GLY438 4.6 0.3 1.0
N D:LEU437 4.7 93.5 1.0
C D:CYS436 4.8 0.9 1.0
CB D:ALA298 4.9 86.7 1.0

Iron binding site 5 out of 7 in 2q6n

Go back to Iron Binding Sites List in 2q6n
Iron 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 Iron with other atoms in the Fe 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:Fe500

b:69.9
occ:1.00
FE E:HEM500 0.0 69.9 1.0
NA E:HEM500 2.0 69.9 1.0
ND E:HEM500 2.1 69.9 1.0
NB E:HEM500 2.1 69.9 1.0
NC E:HEM500 2.1 69.9 1.0
SG E:CYS436 2.8 0.2 1.0
N3 E:1CI501 2.9 0.0 1.0
C1D E:HEM500 3.0 69.9 1.0
C4B E:HEM500 3.0 69.9 1.0
C4A E:HEM500 3.0 69.9 1.0
C1C E:HEM500 3.0 69.9 1.0
C4D E:HEM500 3.0 69.9 1.0
C1B E:HEM500 3.0 69.9 1.0
C4C E:HEM500 3.1 69.9 1.0
C1A E:HEM500 3.1 69.9 1.0
CHB E:HEM500 3.3 69.9 1.0
CHC E:HEM500 3.3 69.9 1.0
CHD E:HEM500 3.3 69.9 1.0
CHA E:HEM500 3.4 69.9 1.0
CB E:CYS436 3.6 0.2 1.0
C2 E:1CI501 3.6 0.0 1.0
C4 E:1CI501 4.0 0.0 1.0
CA E:CYS436 4.1 0.6 1.0
C2D E:HEM500 4.2 69.9 1.0
C2C E:HEM500 4.2 69.9 1.0
C3A E:HEM500 4.2 69.9 1.0
C3D E:HEM500 4.2 69.9 1.0
C3B E:HEM500 4.3 69.9 1.0
C2A E:HEM500 4.3 69.9 1.0
C3C E:HEM500 4.3 69.9 1.0
C2B E:HEM500 4.3 69.9 1.0
N E:GLY438 4.7 83.1 1.0
N E:LEU437 4.7 0.8 1.0
C E:CYS436 4.8 0.6 1.0
N1 E:1CI501 4.8 0.0 1.0
CB E:ALA298 5.0 66.0 1.0

Iron binding site 6 out of 7 in 2q6n

Go back to Iron Binding Sites List in 2q6n
Iron 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 Iron with other atoms in the Fe 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:Fe500

b:0.3
occ:1.00
FE F:HEM500 0.0 0.3 1.0
NB F:HEM500 2.1 0.3 1.0
ND F:HEM500 2.1 0.3 1.0
NA F:HEM500 2.1 0.3 1.0
NC F:HEM500 2.1 0.3 1.0
SG F:CYS436 2.3 0.0 1.0
N3 F:1CI501 2.5 0.0 1.0
C4B F:HEM500 3.0 0.3 1.0
C1D F:HEM500 3.0 0.3 1.0
C1C F:HEM500 3.0 0.3 1.0
C1B F:HEM500 3.0 0.3 1.0
C4A F:HEM500 3.0 0.3 1.0
C4D F:HEM500 3.0 0.3 1.0
C1A F:HEM500 3.1 0.3 1.0
C4C F:HEM500 3.1 0.3 1.0
C4 F:1CI501 3.1 0.0 1.0
CHC F:HEM500 3.3 0.3 1.0
CHB F:HEM500 3.3 0.3 1.0
CHD F:HEM500 3.3 0.3 1.0
CHA F:HEM500 3.4 0.3 1.0
CB F:CYS436 3.6 0.0 1.0
C2 F:1CI501 3.6 0.0 1.0
C2D F:HEM500 4.2 0.3 1.0
C2C F:HEM500 4.2 0.3 1.0
C3A F:HEM500 4.2 0.3 1.0
C3B F:HEM500 4.2 0.3 1.0
C3D F:HEM500 4.3 0.3 1.0
CA F:CYS436 4.3 0.1 1.0
C2B F:HEM500 4.3 0.3 1.0
C2A F:HEM500 4.3 0.3 1.0
C3C F:HEM500 4.3 0.3 1.0
C5 F:1CI501 4.3 0.0 1.0
N1 F:1CI501 4.5 0.0 1.0
CB F:ALA298 4.6 59.7 1.0
C F:CYS436 4.9 0.1 1.0
N F:LEU437 4.9 0.7 1.0
CD1 F:PHE429 4.9 0.9 1.0

Iron binding site 7 out of 7 in 2q6n

Go back to Iron Binding Sites List in 2q6n
Iron 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 Iron with other atoms in the Fe 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:Fe500

b:0.3
occ:1.00
FE G:HEM500 0.0 0.3 1.0
ND G:HEM500 2.1 0.3 1.0
NA G:HEM500 2.1 0.3 1.0
NB G:HEM500 2.1 0.3 1.0
NC G:HEM500 2.1 0.3 1.0
SG G:CYS436 2.2 0.3 1.0
N3 G:1CI501 2.4 0.0 1.0
C4 G:1CI501 2.9 0.0 1.0
C4A G:HEM500 3.0 0.3 1.0
C1D G:HEM500 3.0 0.3 1.0
C1C G:HEM500 3.0 0.3 1.0
C4B G:HEM500 3.0 0.3 1.0
C4D G:HEM500 3.0 0.3 1.0
C1B G:HEM500 3.0 0.3 1.0
C4C G:HEM500 3.1 0.3 1.0
C1A G:HEM500 3.1 0.3 1.0
CHC G:HEM500 3.3 0.3 1.0
CHB G:HEM500 3.3 0.3 1.0
CB G:CYS436 3.3 0.3 1.0
CHA G:HEM500 3.3 0.3 1.0
CHD G:HEM500 3.3 0.3 1.0
C2 G:1CI501 3.6 0.0 1.0
CA G:CYS436 4.1 87.8 1.0
C5 G:1CI501 4.2 0.0 1.0
C3A G:HEM500 4.2 0.3 1.0
C2C G:HEM500 4.2 0.3 1.0
C2D G:HEM500 4.2 0.3 1.0
C2A G:HEM500 4.2 0.3 1.0
C3D G:HEM500 4.2 0.3 1.0
C3C G:HEM500 4.3 0.3 1.0
C3B G:HEM500 4.3 0.3 1.0
C2B G:HEM500 4.3 0.3 1.0
N1 G:1CI501 4.5 0.0 1.0
N G:LEU437 4.7 0.5 1.0
C G:CYS436 4.8 87.8 1.0
N G:GLY438 5.0 0.6 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: Sun Dec 13 14:51:38 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy