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Iron in PDB 3ibd: Crystal Structure of A Cytochrome P450 2B6 Genetic Variant in Complex with the Inhibitor 4-(4-Chlorophenyl)Imidazole

Enzymatic activity of Crystal Structure of A Cytochrome P450 2B6 Genetic Variant in Complex with the Inhibitor 4-(4-Chlorophenyl)Imidazole

All present enzymatic activity of Crystal Structure of A Cytochrome P450 2B6 Genetic Variant in Complex with the Inhibitor 4-(4-Chlorophenyl)Imidazole:
1.14.14.1;

Protein crystallography data

The structure of Crystal Structure of A Cytochrome P450 2B6 Genetic Variant in Complex with the Inhibitor 4-(4-Chlorophenyl)Imidazole, PDB code: 3ibd was solved by S.C.Gay, L.Sun, J.C.Talakad, M.B.Shah, D.C.Stout, J.R.Halpert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 98.45 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 89.573, 55.740, 99.090, 90.00, 96.51, 90.00
R / Rfree (%) 17.8 / 22.8

Other elements in 3ibd:

The structure of Crystal Structure of A Cytochrome P450 2B6 Genetic Variant in Complex with the Inhibitor 4-(4-Chlorophenyl)Imidazole also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of A Cytochrome P450 2B6 Genetic Variant in Complex with the Inhibitor 4-(4-Chlorophenyl)Imidazole (pdb code 3ibd). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of A Cytochrome P450 2B6 Genetic Variant in Complex with the Inhibitor 4-(4-Chlorophenyl)Imidazole, PDB code: 3ibd:

Iron binding site 1 out of 1 in 3ibd

Go back to Iron Binding Sites List in 3ibd
Iron binding site 1 out of 1 in the Crystal Structure of A Cytochrome P450 2B6 Genetic Variant in Complex with the Inhibitor 4-(4-Chlorophenyl)Imidazole


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 A Cytochrome P450 2B6 Genetic Variant in Complex with the Inhibitor 4-(4-Chlorophenyl)Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:9.2
occ:1.00
 FE A:HEM500 0.0 9.2 1.0
NC A:HEM500 2.0 6.6 1.0
NB A:HEM500 2.0 10.4 1.0
NA A:HEM500 2.1 9.4 1.0
ND A:HEM500 2.1 10.5 1.0
SG A:CYS436 2.3 10.3 1.0
N1 A:CPZ501 2.4 16.2 1.0
C4B A:HEM500 3.0 11.1 1.0
C1C A:HEM500 3.0 10.2 1.0
C4C A:HEM500 3.0 10.9 1.0
C1A A:HEM500 3.1 9.5 1.0
C1B A:HEM500 3.1 10.6 1.0
C4D A:HEM500 3.1 9.6 1.0
C4A A:HEM500 3.1 10.1 1.0
C1D A:HEM500 3.1 11.0 1.0
C5 A:CPZ501 3.2 19.3 1.0
C2 A:CPZ501 3.3 20.5 1.0
CHC A:HEM500 3.3 11.2 1.0
CHA A:HEM500 3.4 7.3 1.0
CB A:CYS436 3.4 10.7 1.0
CHD A:HEM500 3.4 7.4 1.0
CHB A:HEM500 3.5 8.1 1.0
CA A:CYS436 4.1 10.2 1.0
C3C A:HEM500 4.2 11.1 1.0
C2C A:HEM500 4.3 13.1 1.0
C3B A:HEM500 4.3 8.6 1.0
C2B A:HEM500 4.3 11.0 1.0
C2A A:HEM500 4.3 9.6 1.0
C3A A:HEM500 4.3 6.9 1.0
N3 A:CPZ501 4.3 19.6 1.0
C2D A:HEM500 4.4 8.5 1.0
C3D A:HEM500 4.4 10.8 1.0
C4 A:CPZ501 4.4 21.5 1.0
C A:CYS436 4.7 10.8 1.0
N A:GLY438 4.8 12.6 1.0
N A:LEU437 4.8 10.2 1.0
O A:ALA298 4.9 23.3 1.0
CB A:ALA298 5.0 22.4 1.0

Reference:

S.C.Gay, M.B.Shah, J.C.Talakad, K.Maekawa, A.G.Roberts, P.R.Wilderman, L.Sun, J.Y.Yang, S.C.Huelga, W.X.Hong, Q.Zhang, C.D.Stout, J.R.Halpert. Crystal Structure of A Cytochrome P450 2B6 Genetic Variant in Complex with the Inhibitor 4-(4-Chlorophenyl)Imidazole at 2.0-A Resolution. Mol.Pharmacol. V. 77 529 2010.
ISSN: ISSN 0026-895X
PubMed: 20061448
DOI: 10.1124/MOL.109.062570
Page generated: Sun Aug 4 12:16:47 2024

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