Iron in PDB 2xfh: Structure of Cytochrome P450 Eryk Cocrystallized with Inhibitor Clotrimazole.

The structure of Structure of Cytochrome P450 Eryk Cocrystallized with Inhibitor Clotrimazole., PDB code: 2xfh was solved by C.Savino, L.C.Montemiglio, S.Gianni, B.Vallone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.76 / 1.90
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	37.920, 53.680, 58.109, 100.27, 90.93, 94.19
R / Rfree (%)	18.094 / 23.112

The structure of Structure of Cytochrome P450 Eryk Cocrystallized with Inhibitor Clotrimazole. also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Iron atom in the Structure of Cytochrome P450 Eryk Cocrystallized with Inhibitor Clotrimazole. (pdb code 2xfh). 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 Structure of Cytochrome P450 Eryk Cocrystallized with Inhibitor Clotrimazole., PDB code: 2xfh:

Iron binding site 1 out of 1 in the Structure of Cytochrome P450 Eryk Cocrystallized with Inhibitor Clotrimazole.


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 Eryk Cocrystallized with Inhibitor Clotrimazole. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1412 b:18.7 occ:1.00 FE A:HEM1412 0.0 18.7 1.0 NA A:HEM1412 2.0 17.4 1.0 NB A:HEM1412 2.0 15.3 1.0 NC A:HEM1412 2.0 15.7 1.0 ND A:HEM1412 2.1 15.8 1.0 NAN A:CL61413 2.1 14.9 1.0 SG A:CYS353 2.3 15.9 1.0 C4A A:HEM1412 3.0 15.6 1.0 C4C A:HEM1412 3.0 17.5 1.0 CAM A:CL61413 3.0 14.8 1.0 C1B A:HEM1412 3.0 16.0 1.0 C1A A:HEM1412 3.0 15.5 1.0 C1D A:HEM1412 3.1 15.9 1.0 C4B A:HEM1412 3.1 12.7 1.0 C4D A:HEM1412 3.1 16.2 1.0 C1C A:HEM1412 3.1 14.7 1.0 CAQ A:CL61413 3.1 18.7 1.0 CHB A:HEM1412 3.3 15.0 1.0 CHD A:HEM1412 3.4 15.7 1.0 CB A:CYS353 3.4 17.2 1.0 CHA A:HEM1412 3.5 15.6 1.0 CHC A:HEM1412 3.5 12.6 1.0 NAO A:CL61413 4.1 17.8 1.0 CA A:CYS353 4.2 16.4 1.0 C3A A:HEM1412 4.2 16.9 1.0 C2A A:HEM1412 4.2 17.4 1.0 C3C A:HEM1412 4.3 17.6 1.0 C2B A:HEM1412 4.3 13.5 1.0 CAP A:CL61413 4.3 18.7 1.0 C3B A:HEM1412 4.3 14.2 1.0 C2C A:HEM1412 4.3 17.2 1.0 C2D A:HEM1412 4.3 15.2 1.0 C3D A:HEM1412 4.3 17.3 1.0 N A:GLY355 4.7 18.8 1.0 C A:CYS353 4.8 16.8 1.0 N A:LEU354 5.0 17.6 1.0

L.C.Montemiglio, S.Gianni, B.Vallone, C.Savino. Azole Drugs Trap Cytochrome P450 Eryk in Alternative Conformational States. Biochemistry V. 49 9199 2010.
ISSN: ISSN 0006-2960
PubMed: 20845962
DOI: 10.1021/BI101062V