Magnesium 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:

Iron

(Fe)

2 atoms

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

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of CYP134A1 2-Phenylimidazole Bound Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg408 b:27.9 occ:1.00 OE1 A:GLU362 2.7 32.6 1.0 O A:ALA136 2.8 24.5 1.0 O A:ALA234 3.1 30.2 1.0 OE2 A:GLU362 3.2 32.7 1.0 CD A:GLU362 3.4 31.9 1.0 OG1 A:THR140 3.4 24.0 1.0 C A:ALA136 3.5 23.5 1.0 CA A:ALA136 3.5 23.2 1.0 CB A:VAL139 3.7 24.3 1.0 CB A:ALA238 3.7 31.9 1.0 CB A:ALA136 3.8 22.8 1.0 CG1 A:VAL139 4.0 25.3 1.0 C A:ALA234 4.0 31.1 1.0 N A:THR140 4.0 24.9 1.0 CA A:THR235 4.3 32.6 1.0 CB A:THR140 4.5 25.1 1.0 N A:THR235 4.6 32.5 1.0 CG2 A:VAL139 4.6 24.5 1.0 CA A:VAL139 4.7 24.9 1.0 O A:THR235 4.7 31.4 1.0 CA A:THR140 4.7 26.0 1.0 C A:VAL139 4.7 25.3 1.0 CB A:ALA234 4.7 32.6 1.0 N A:VAL137 4.8 23.4 1.0 CG A:GLU362 4.9 30.0 1.0 N A:ALA136 4.9 23.4 1.0 CA A:ALA234 4.9 31.6 1.0

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of CYP134A1 2-Phenylimidazole Bound Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg408 b:29.1 occ:1.00 OE1 B:GLU362 2.8 32.0 1.0 O B:ALA136 2.9 23.6 1.0 CB B:ALA238 3.1 28.2 1.0 O B:ALA234 3.1 22.1 1.0 CA B:ALA136 3.3 23.5 1.0 OE2 B:GLU362 3.4 30.1 1.0 CD B:GLU362 3.5 29.7 1.0 C B:ALA136 3.5 23.1 1.0 OG1 B:THR140 3.5 22.9 1.0 CB B:ALA136 3.6 23.9 1.0 C B:ALA234 3.9 22.3 1.0 CB B:VAL139 4.0 24.4 1.0 CA B:THR235 4.2 24.0 1.0 CG1 B:VAL139 4.2 25.5 1.0 N B:THR140 4.4 23.8 1.0 N B:THR235 4.4 23.1 1.0 O B:THR235 4.6 24.9 1.0 CA B:ALA238 4.6 28.0 1.0 N B:ALA136 4.6 24.0 1.0 CB B:THR140 4.7 23.7 1.0 CB B:ALA234 4.8 22.5 1.0 N B:VAL137 4.8 23.1 1.0 C B:THR235 4.8 24.7 1.0 CG2 B:VAL139 4.9 24.7 1.0 CG B:GLU362 4.9 26.9 1.0 CA B:ALA234 4.9 22.0 1.0 O B:PHE135 4.9 23.5 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