Iron in PDB 3nc7: CYP134A1 2-Phenylimidazole Bound Structure

The structure of CYP134A1 2-Phenylimidazole Bound Structure, PDB code: 3nc7 was solved by M.J.Cryle, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.55 / 3.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.360, 106.790, 142.090, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 28.6

The structure of CYP134A1 2-Phenylimidazole Bound Structure also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Iron atom in the CYP134A1 2-Phenylimidazole Bound Structure (pdb code 3nc7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the CYP134A1 2-Phenylimidazole Bound Structure, PDB code: 3nc7:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the CYP134A1 2-Phenylimidazole Bound Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of CYP134A1 2-Phenylimidazole Bound Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe406 b:13.7 occ:1.00 FE A:HEM406 0.0 13.7 1.0 NA A:HEM406 2.0 12.8 1.0 ND A:HEM406 2.0 12.9 1.0 NB A:HEM406 2.1 13.3 1.0 NC A:HEM406 2.1 12.2 1.0 SG A:CYS353 2.5 35.0 1.0 C4D A:HEM406 2.9 14.5 1.0 C1A A:HEM406 3.0 12.7 1.0 C4A A:HEM406 3.0 13.5 1.0 C1D A:HEM406 3.1 12.5 1.0 C1B A:HEM406 3.1 13.8 1.0 C4C A:HEM406 3.1 12.1 1.0 C4B A:HEM406 3.2 12.9 1.0 C1C A:HEM406 3.2 11.3 1.0 CB A:CYS353 3.2 36.7 1.0 CHA A:HEM406 3.3 13.9 1.0 CHB A:HEM406 3.4 13.9 1.0 CHD A:HEM406 3.4 11.6 1.0 CHC A:HEM406 3.6 11.5 1.0 C4 A:PIY407 4.0 73.4 1.0 CA A:CYS353 4.0 40.9 1.0 C2A A:HEM406 4.2 13.7 1.0 C3A A:HEM406 4.2 13.2 1.0 C3D A:HEM406 4.2 15.9 1.0 C2D A:HEM406 4.3 14.2 1.0 C2B A:HEM406 4.3 13.9 1.0 C3C A:HEM406 4.4 12.0 1.0 C3B A:HEM406 4.4 13.6 1.0 C2C A:HEM406 4.4 11.3 1.0 O A:ALA233 4.4 30.4 1.0 C A:CYS353 4.7 42.5 1.0 CB A:ALA233 4.7 34.8 1.0 N A:VAL354 4.8 44.5 1.0 C5 A:PIY407 4.9 73.4 1.0 N1 A:PIY407 4.9 73.5 1.0 C A:ALA233 5.0 31.7 1.0

Iron binding site 2 out of 2 in the CYP134A1 2-Phenylimidazole Bound Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of CYP134A1 2-Phenylimidazole Bound Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe406 b:12.8 occ:1.00 FE B:HEM406 0.0 12.8 1.0 NA B:HEM406 2.0 12.9 1.0 ND B:HEM406 2.0 12.4 1.0 NB B:HEM406 2.1 12.7 1.0 NC B:HEM406 2.1 12.1 1.0 SG B:CYS353 2.5 24.9 1.0 C4A B:HEM406 3.0 13.2 1.0 C1A B:HEM406 3.0 13.2 1.0 C4D B:HEM406 3.0 13.8 1.0 C1D B:HEM406 3.0 11.9 1.0 CB B:CYS353 3.1 25.2 1.0 C1B B:HEM406 3.1 13.3 1.0 C4C B:HEM406 3.1 11.5 1.0 C4B B:HEM406 3.1 13.2 1.0 C1C B:HEM406 3.1 11.8 1.0 CHA B:HEM406 3.4 13.7 1.0 CHB B:HEM406 3.4 13.6 1.0 CHD B:HEM406 3.4 11.7 1.0 CHC B:HEM406 3.5 12.2 1.0 CA B:CYS353 3.9 27.3 1.0 C2A B:HEM406 4.2 13.9 1.0 C3A B:HEM406 4.2 13.0 1.0 C3D B:HEM406 4.3 14.6 1.0 C2D B:HEM406 4.3 12.3 1.0 C3C B:HEM406 4.3 11.1 1.0 C2C B:HEM406 4.3 11.5 1.0 C2B B:HEM406 4.3 13.4 1.0 C3B B:HEM406 4.3 13.9 1.0 C5 B:PIY407 4.6 51.4 1.0 C B:CYS353 4.7 28.4 1.0 O B:ALA233 4.8 21.2 1.0 N B:VAL354 4.8 29.6 1.0 CB B:ALA233 4.8 22.4 1.0 N B:CYS353 5.0 28.3 1.0

M.J.Cryle, S.G.Bell, I.Schlichting. Structural and Biochemical Characterization of the Cytochrome P450 Cypx (CYP134A1) From Bacillus Subtilis: A Cyclo-L-Leucyl-L-Leucyl Dipeptide Oxidase. Biochemistry V. 49 7282 2010.
ISSN: ISSN 0006-2960
PubMed: 20690619
DOI: 10.1021/BI100910Y